2-(2-pyrimidin-4-yl-1,3-thiazol-4-yl)acetonitrile

C9H6N4S — CID 63989817

IUPAC2-(2-pyrimidin-4-yl-1,3-thiazol-4-yl)acetonitrile
SMILESN#CCc1csc(-c2ccncn2)n1
InChIInChI=1S/C9H6N4S/c10-3-1-7-5-14-9(13-7)8-2-4-11-6-12-8/h2,4-6H,1H2
InChIKeyIPFJUHGSHZHDIU-UHFFFAOYSA-N
MW202.24 g/mol
LogP1.67
Rot. Bonds2

About 2-(2-pyrimidin-4-yl-1,3-thiazol-4-yl)acetonitrile

2-(2-pyrimidin-4-yl-1,3-thiazol-4-yl)acetonitrile (PubChem CID 63989817) has the molecular formula C9H6N4S and a molecular weight of 202.24 g/mol. Its IUPAC name is 2-(2-pyrimidin-4-yl-1,3-thiazol-4-yl)acetonitrile.

Molecular Properties

Compound Name2-(2-pyrimidin-4-yl-1,3-thiazol-4-yl)acetonitrile
PubChem CID63989817
Molecular FormulaC9H6N4S
Molecular Weight202.24 g/mol
Exact Mass202.03
IUPAC Name2-(2-pyrimidin-4-yl-1,3-thiazol-4-yl)acetonitrile
SMILESN#CCc1csc(-c2ccncn2)n1
InChIInChI=1S/C9H6N4S/c10-3-1-7-5-14-9(13-7)8-2-4-11-6-12-8/h2,4-6H,1H2
InChIKeyIPFJUHGSHZHDIU-UHFFFAOYSA-N
XLogP1.67
TPSA62.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.24
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(1,3-Thiazol-2-yl)pyrimidin-2-amine
CID 4131872
Ethanamine, N,N-dimethyl-2-((4-(2-thiazolyl)-2-pyrimidinyl)thio)-
CID 452514
1,2-Ethanediamine, N,N-dimethyl-N'-(4-(2-thiazolyl)-2-pyrimidinyl)-
CID 452515
2-Amino-6-(thiazol-2-yl)-4-(trifluoromethyl)pyrimidine
CID 2823377
4-Methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)-1,3-thiazole
CID 31981427
4-(1-aminoethyl)-N-[4-(trifluoromethyl)pyrimidin-2-yl]-1,3-thiazol-2-amine
CID 49795542
2-N,4-N,4-N,6-tetramethyl-2-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-2,4-diamine
CID 53539526
4-Methyl-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-1,3-thiazole
CID 60393934
2-N,4-N,4-N-trimethyl-2-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-2,4-diamine
CID 71850493
N-Methyl-N-[(2-methyl-1,3-thiazol-4-YL)methyl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 72880410
2-[2,2-Dimethylpropyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]pyrimidine-4-carbonitrile
CID 168298080
2-(2-chloropyriMidin-4-yl)thiazole
CID 15141651

Frequently Asked Questions

What is the IUPAC name of 2-(2-pyrimidin-4-yl-1,3-thiazol-4-yl)acetonitrile?
The IUPAC name of 2-(2-pyrimidin-4-yl-1,3-thiazol-4-yl)acetonitrile (CID 63989817) is 2-(2-pyrimidin-4-yl-1,3-thiazol-4-yl)acetonitrile.
What is the SMILES notation for 2-(2-pyrimidin-4-yl-1,3-thiazol-4-yl)acetonitrile?
The canonical SMILES for 2-(2-pyrimidin-4-yl-1,3-thiazol-4-yl)acetonitrile is N#CCc1csc(-c2ccncn2)n1.
What is the InChIKey of 2-(2-pyrimidin-4-yl-1,3-thiazol-4-yl)acetonitrile?
The InChIKey is IPFJUHGSHZHDIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6N4S/c10-3-1-7-5-14-9(13-7)8-2-4-11-6-12-8/h2,4-6H,1H2.
What are the key properties of 2-(2-pyrimidin-4-yl-1,3-thiazol-4-yl)acetonitrile?
2-(2-pyrimidin-4-yl-1,3-thiazol-4-yl)acetonitrile has a molecular weight of 202.24 g/mol, XLogP of 1.67, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-pyrimidin-4-yl-1,3-thiazol-4-yl)acetonitrile is sourced from PubChem (CID 63989817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).