2-(5-propan-2-ylpyrimidin-4-yl)-1,3-thiazole

C10H11N3S — CID 58415693

IUPAC2-(5-propan-2-ylpyrimidin-4-yl)-1,3-thiazole
SMILESCC(C)c1cncnc1-c1nccs1
InChIInChI=1S/C10H11N3S/c1-7(2)8-5-11-6-13-9(8)10-12-3-4-14-10/h3-7H,1-2H3
InChIKeyUTOHUKYDEQQCOA-UHFFFAOYSA-N
MW205.29 g/mol
LogP2.72
Rot. Bonds2

About 2-(5-propan-2-ylpyrimidin-4-yl)-1,3-thiazole

2-(5-propan-2-ylpyrimidin-4-yl)-1,3-thiazole (PubChem CID 58415693) has the molecular formula C10H11N3S and a molecular weight of 205.29 g/mol. Its IUPAC name is 2-(5-propan-2-ylpyrimidin-4-yl)-1,3-thiazole.

Molecular Properties

Compound Name2-(5-propan-2-ylpyrimidin-4-yl)-1,3-thiazole
PubChem CID58415693
Molecular FormulaC10H11N3S
Molecular Weight205.29 g/mol
Exact Mass205.07
IUPAC Name2-(5-propan-2-ylpyrimidin-4-yl)-1,3-thiazole
SMILESCC(C)c1cncnc1-c1nccs1
InChIInChI=1S/C10H11N3S/c1-7(2)8-5-11-6-13-9(8)10-12-3-4-14-10/h3-7H,1-2H3
InChIKeyUTOHUKYDEQQCOA-UHFFFAOYSA-N
XLogP2.72
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.29
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1H-pyrazolo[4,3-d]pyrimidin-3-yl)-1,3-thiazole
CID 67306726
4-(5-propan-2-ylpyrimidin-4-yl)aniline
CID 83886077
2-(5-propan-2-yl-3-pyridinyl)-1,3-thiazole
CID 139423358
2-[3-(difluoromethyl)-2-pyridinyl]-1,3-thiazole
CID 91181182
1-methyl-4-(5-propan-2-ylpyrimidin-4-yl)pyrrolo[2,3-b]pyridine
CID 70720903
ethane;2-(1,3-thiazol-5-yl)-1,3-thiazole
CID 144537709
2-(7H-purin-8-yl)-1,3-thiazole
CID 67998499
4-(1,3-benzodioxol-5-yl)-5-propan-2-ylpyrimidine
CID 146252856
N-[[1-methyl-3-(1,3-thiazol-2-yl)pyrazol-4-yl]methyl]propan-2-amine
CID 79485381
2-(3-propan-2-ylphenyl)-1,3-thiazole
CID 22945701
2-[4-(1,3-thiazol-2-yl)phenyl]-1,3-thiazole
CID 901538
2-methyl-1,1-bis(1,3-thiazol-2-yl)propan-1-ol
CID 129269629

Frequently Asked Questions

What is the IUPAC name of 2-(5-propan-2-ylpyrimidin-4-yl)-1,3-thiazole?
The IUPAC name of 2-(5-propan-2-ylpyrimidin-4-yl)-1,3-thiazole (CID 58415693) is 2-(5-propan-2-ylpyrimidin-4-yl)-1,3-thiazole.
What is the SMILES notation for 2-(5-propan-2-ylpyrimidin-4-yl)-1,3-thiazole?
The canonical SMILES for 2-(5-propan-2-ylpyrimidin-4-yl)-1,3-thiazole is CC(C)c1cncnc1-c1nccs1.
What is the InChIKey of 2-(5-propan-2-ylpyrimidin-4-yl)-1,3-thiazole?
The InChIKey is UTOHUKYDEQQCOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3S/c1-7(2)8-5-11-6-13-9(8)10-12-3-4-14-10/h3-7H,1-2H3.
What are the key properties of 2-(5-propan-2-ylpyrimidin-4-yl)-1,3-thiazole?
2-(5-propan-2-ylpyrimidin-4-yl)-1,3-thiazole has a molecular weight of 205.29 g/mol, XLogP of 2.72, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-propan-2-ylpyrimidin-4-yl)-1,3-thiazole is sourced from PubChem (CID 58415693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).