2,4-di(propan-2-yl)-1,3-thiazole;3-propan-2-ylfuran;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;4-propan-2-ylpyridine

C39H57N5OS — CID 159116852

IUPAC2,4-di(propan-2-yl)-1,3-thiazole;3-propan-2-ylfuran;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;4-propan-2-ylpyridine
SMILESCC(C)c1ccccn1.CC(C)c1ccncc1.CC(C)c1ccoc1.CC(C)c1cnccn1.CC(C)c1csc(C(C)C)n1
InChIInChI=1S/C9H15NS.2C8H11N.C7H10N2.C7H10O/c1-6(2)8-5-11-9(10-8)7(3)4;1-7(2)8-3-5-9-6-4-8;1-7(2)8-5-3-4-6-9-8;1-6(2)7-5-8-3-4-9-7;1-6(2)7-3-4-8-5-7/h5-7H,1-4H3;2*3-7H,1-2H3;3-6H,1-2H3;3-6H,1-2H3
InChIKeyKFESKSWEYWIRIE-UHFFFAOYSA-N
MW643.99 g/mol
LogP11.80
Rot. Bonds6

About 2,4-di(propan-2-yl)-1,3-thiazole;3-propan-2-ylfuran;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;4-propan-2-ylpyridine

2,4-di(propan-2-yl)-1,3-thiazole;3-propan-2-ylfuran;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;4-propan-2-ylpyridine (PubChem CID 159116852) has the molecular formula C39H57N5OS and a molecular weight of 643.99 g/mol. Its IUPAC name is 2,4-di(propan-2-yl)-1,3-thiazole;3-propan-2-ylfuran;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;4-propan-2-ylpyridine.

Molecular Properties

Compound Name2,4-di(propan-2-yl)-1,3-thiazole;3-propan-2-ylfuran;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;4-propan-2-ylpyridine
PubChem CID159116852
Molecular FormulaC39H57N5OS
Molecular Weight643.99 g/mol
Exact Mass643.43
IUPAC Name2,4-di(propan-2-yl)-1,3-thiazole;3-propan-2-ylfuran;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;4-propan-2-ylpyridine
SMILESCC(C)c1ccccn1.CC(C)c1ccncc1.CC(C)c1ccoc1.CC(C)c1cnccn1.CC(C)c1csc(C(C)C)n1
InChIInChI=1S/C9H15NS.2C8H11N.C7H10N2.C7H10O/c1-6(2)8-5-11-9(10-8)7(3)4;1-7(2)8-3-5-9-6-4-8;1-7(2)8-5-3-4-6-9-8;1-6(2)7-5-8-3-4-9-7;1-6(2)7-3-4-8-5-7/h5-7H,1-4H3;2*3-7H,1-2H3;3-6H,1-2H3;3-6H,1-2H3
InChIKeyKFESKSWEYWIRIE-UHFFFAOYSA-N
XLogP11.80
TPSA77.59 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500643.99
LogP ≤ 511.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2,4-di(propan-2-yl)-1,3-thiazole;3-propan-2-ylfuran;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;4-propan-2-ylpyridine with MolForge

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Launch Full Analysis

Related Compounds

15-(Furan-3-yl)-13-(4-methyl-1,3-thiazol-2-yl)-4,11-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,13-pentaen-12-one
CID 44291331
4-[1-(Furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-pyridin-2-yl-1,3-thiazole
CID 2446360
N-(furan-2-ylmethyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-pyridin-3-ylmethanamine
CID 75501081
2-(Furan-3-yl)-4-(2-methoxy-3-pyridinyl)-1,3-thiazole
CID 119052742
2-(furan-2-yl)-4-[[(3R)-3-pyridin-3-ylpyrrolidin-1-yl]methyl]-1,3-thiazole
CID 164634305
4-(2-Furylmethylthio)-3-methyl-2-[(2-pyridinylthio)methyl]pyridine
CID 22117320
N-[2-(furan-2-ylmethylsulfanyl)-4-methyl-3-pyridinyl]-2-hexyldecanethioamide
CID 54206768
4-(Furan-3-yl)-2-(4-propan-2-yl-3-pyridinyl)-1,3-thiazole
CID 69852987
4-(Furan-3-yl)-2-(4-propyl-3-pyridinyl)-1,3-thiazole
CID 69852988
2-(2-Ethyl-4-pyridinyl)-4-[1-(furan-2-ylmethyl)-5-methylpyrrol-2-yl]-1,3-thiazole
CID 141092317
2-[2-(Furan-2-yl)-4-pyridin-2-ylthiophen-3-yl]pyrazine
CID 141220909
(3E)-2-[4-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]-4-pyridin-3-ylbuta-1,3-dien-1-one
CID 141726987

Frequently Asked Questions

What is the IUPAC name of 2,4-di(propan-2-yl)-1,3-thiazole;3-propan-2-ylfuran;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;4-propan-2-ylpyridine?
The IUPAC name of 2,4-di(propan-2-yl)-1,3-thiazole;3-propan-2-ylfuran;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;4-propan-2-ylpyridine (CID 159116852) is 2,4-di(propan-2-yl)-1,3-thiazole;3-propan-2-ylfuran;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;4-propan-2-ylpyridine.
What is the SMILES notation for 2,4-di(propan-2-yl)-1,3-thiazole;3-propan-2-ylfuran;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;4-propan-2-ylpyridine?
The canonical SMILES for 2,4-di(propan-2-yl)-1,3-thiazole;3-propan-2-ylfuran;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;4-propan-2-ylpyridine is CC(C)c1ccccn1.CC(C)c1ccncc1.CC(C)c1ccoc1.CC(C)c1cnccn1.CC(C)c1csc(C(C)C)n1.
What is the InChIKey of 2,4-di(propan-2-yl)-1,3-thiazole;3-propan-2-ylfuran;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;4-propan-2-ylpyridine?
The InChIKey is KFESKSWEYWIRIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NS.2C8H11N.C7H10N2.C7H10O/c1-6(2)8-5-11-9(10-8)7(3)4;1-7(2)8-3-5-9-6-4-8;1-7(2)8-5-3-4-6-9-8;1-6(2)7-5-8-3-4-9-7;1-6(2)7-3-4-8-5-7/h5-7H,1-4H3;2*3-7H,1-2H3;3-6H,1-2H3;3-6H,1-2H3.
What are the key properties of 2,4-di(propan-2-yl)-1,3-thiazole;3-propan-2-ylfuran;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;4-propan-2-ylpyridine?
2,4-di(propan-2-yl)-1,3-thiazole;3-propan-2-ylfuran;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;4-propan-2-ylpyridine has a molecular weight of 643.99 g/mol, XLogP of 11.80, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-di(propan-2-yl)-1,3-thiazole;3-propan-2-ylfuran;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;4-propan-2-ylpyridine is sourced from PubChem (CID 159116852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).