3-phenyl-1,4-di(propan-2-yl)pyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole

C59H82N10S — CID 157180221

IUPAC3-phenyl-1,4-di(propan-2-yl)pyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole
SMILESCC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1ccncc1.CC(C)c1ccncn1.CC(C)c1cn(C(C)C)nc1-c1ccccc1.CC(C)c1cncnc1.CC(C)c1nccs1
InChIInChI=1S/C15H20N2.3C8H11N.2C7H10N2.C6H9NS/c1-11(2)14-10-17(12(3)4)16-15(14)13-8-6-5-7-9-13;1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;1-7(2)8-5-3-4-6-9-8;1-6(2)7-3-8-5-9-4-7;1-6(2)7-3-4-8-5-9-7;1-5(2)6-7-3-4-8-6/h5-12H,1-4H3;3*3-7H,1-2H3;2*3-6H,1-2H3;3-5H,1-2H3
InChIKeyAOMGJONZYWTTOE-UHFFFAOYSA-N
MW963.44 g/mol
LogP16.34
Rot. Bonds9

About 3-phenyl-1,4-di(propan-2-yl)pyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole

3-phenyl-1,4-di(propan-2-yl)pyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole (PubChem CID 157180221) has the molecular formula C59H82N10S and a molecular weight of 963.44 g/mol. Its IUPAC name is 3-phenyl-1,4-di(propan-2-yl)pyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole.

Molecular Properties

Compound Name3-phenyl-1,4-di(propan-2-yl)pyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole
PubChem CID157180221
Molecular FormulaC59H82N10S
Molecular Weight963.44 g/mol
Exact Mass962.64
IUPAC Name3-phenyl-1,4-di(propan-2-yl)pyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole
SMILESCC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1ccncc1.CC(C)c1ccncn1.CC(C)c1cn(C(C)C)nc1-c1ccccc1.CC(C)c1cncnc1.CC(C)c1nccs1
InChIInChI=1S/C15H20N2.3C8H11N.2C7H10N2.C6H9NS/c1-11(2)14-10-17(12(3)4)16-15(14)13-8-6-5-7-9-13;1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;1-7(2)8-5-3-4-6-9-8;1-6(2)7-3-8-5-9-4-7;1-6(2)7-3-4-8-5-9-7;1-5(2)6-7-3-4-8-6/h5-12H,1-4H3;3*3-7H,1-2H3;2*3-6H,1-2H3;3-5H,1-2H3
InChIKeyAOMGJONZYWTTOE-UHFFFAOYSA-N
XLogP16.34
TPSA120.94 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds9
Heavy Atoms70
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500963.44
LogP ≤ 516.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze 3-phenyl-1,4-di(propan-2-yl)pyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole with MolForge

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Launch Full Analysis

Related Compounds

1-[1-({4-[3-phenyl-5-(1,3-thiazol-2-yl)pyridin-2-yl]phenyl}methyl)piperidin-4-yl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 24971394
2-[Phenyl-[4-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]methyl]thiazole
CID 3011483
US11186582, Example 195
CID 118479637
US11186582, Example 196
CID 118479682
7-(4-Fluorophenyl)-8-(2-methylpyridin-4-yl)-2-[(1,3-thiazol-4-yl)methyl]-[1,2,4]triazolo[1,5-c] pyrimidin-5-amine
CID 146490615
4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]-N-(1-piperidin-4-ylpyrazol-3-yl)pyrimidin-2-amine
CID 155566118
2-(4-Butylphenyl)-4-methyl-5-(2-pyrazol-1-ylpyrimidin-4-yl)-1,3-thiazole
CID 127043105
US11186582, Example 147
CID 118472545
US11186582, Example 109
CID 118472600
N'-[4-[4-methyl-2-(4-phenylphenyl)-1,3-thiazol-5-yl]pyrimidin-2-yl]pyrazole-1-carboximidamide
CID 145977019
4-{3-[1-(4-pyridinylmethyl)-1H-pyrazol-3-yl]phenyl}thieno[2,3-d]pyrimidine
CID 28356037
4-(3-Fluoro-2-pyridinyl)-5-[(4-propyl-6-pyrimidin-5-ylpyridazin-3-yl)methyl]-1,3-thiazole
CID 59759776

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-1,4-di(propan-2-yl)pyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole?
The IUPAC name of 3-phenyl-1,4-di(propan-2-yl)pyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole (CID 157180221) is 3-phenyl-1,4-di(propan-2-yl)pyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole.
What is the SMILES notation for 3-phenyl-1,4-di(propan-2-yl)pyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole?
The canonical SMILES for 3-phenyl-1,4-di(propan-2-yl)pyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole is CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1ccncc1.CC(C)c1ccncn1.CC(C)c1cn(C(C)C)nc1-c1ccccc1.CC(C)c1cncnc1.CC(C)c1nccs1.
What is the InChIKey of 3-phenyl-1,4-di(propan-2-yl)pyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole?
The InChIKey is AOMGJONZYWTTOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2.3C8H11N.2C7H10N2.C6H9NS/c1-11(2)14-10-17(12(3)4)16-15(14)13-8-6-5-7-9-13;1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;1-7(2)8-5-3-4-6-9-8;1-6(2)7-3-8-5-9-4-7;1-6(2)7-3-4-8-5-9-7;1-5(2)6-7-3-4-8-6/h5-12H,1-4H3;3*3-7H,1-2H3;2*3-6H,1-2H3;3-5H,1-2H3.
What are the key properties of 3-phenyl-1,4-di(propan-2-yl)pyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole?
3-phenyl-1,4-di(propan-2-yl)pyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole has a molecular weight of 963.44 g/mol, XLogP of 16.34, 9 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-1,4-di(propan-2-yl)pyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole is sourced from PubChem (CID 157180221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).