2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]-1,3-thiazole-5-carbonitrile

C9H7N5OS — CID 142892805

IUPAC2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]-1,3-thiazole-5-carbonitrile
SMILESCc1nc(Nc2ncc(C#N)s2)cc(=O)[nH]1
InChIInChI=1S/C9H7N5OS/c1-5-12-7(2-8(15)13-5)14-9-11-4-6(3-10)16-9/h2,4H,1H3,(H2,11,12,13,14,15)
InChIKeyWBSKDMXMZYOEHE-UHFFFAOYSA-N
MW233.26 g/mol
LogP1.15
Rot. Bonds2

About 2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]-1,3-thiazole-5-carbonitrile

2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]-1,3-thiazole-5-carbonitrile (PubChem CID 142892805) has the molecular formula C9H7N5OS and a molecular weight of 233.26 g/mol. Its IUPAC name is 2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]-1,3-thiazole-5-carbonitrile.

Molecular Properties

Compound Name2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]-1,3-thiazole-5-carbonitrile
PubChem CID142892805
Molecular FormulaC9H7N5OS
Molecular Weight233.26 g/mol
Exact Mass233.04
IUPAC Name2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]-1,3-thiazole-5-carbonitrile
SMILESCc1nc(Nc2ncc(C#N)s2)cc(=O)[nH]1
InChIInChI=1S/C9H7N5OS/c1-5-12-7(2-8(15)13-5)14-9-11-4-6(3-10)16-9/h2,4H,1H3,(H2,11,12,13,14,15)
InChIKeyWBSKDMXMZYOEHE-UHFFFAOYSA-N
XLogP1.15
TPSA94.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.26
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

CID 20770457
CID 20770457
2-[[4-(hydroxymethyl)-5-methyl-2-pyridinyl]amino]-1,3-thiazole-5-carbonitrile
CID 22504291
5-[[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]methyl]-1,3,4-thiadiazole-2-carbonitrile
CID 136937270
6-[(5-cyano-1,3-thiazol-2-yl)amino]-2-[2-(4-methylphenyl)pyrrolidin-1-yl]pyrimidine-4-carboxylic acid
CID 72550517
2-[[6-chloro-2-[[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]amino]pyrimidin-4-yl]amino]-1,3-thiazole-5-carbonitrile
CID 86644131
N-(5-cyano-1,3-thiazol-2-yl)-3-methylbenzamide
CID 90603545
2-[4-[6-[(5-cyano-1,3-thiazol-2-yl)amino]-2-methylpyrimidin-4-yl]oxypiperidin-1-yl]acetic acid
CID 87696675
2-[[5-(trifluoromethyl)-2-pyridinyl]amino]-1,3-thiazole-5-carbonitrile
CID 18506909
4-(cyclopentylamino)-2-methyl-1H-pyrimidin-6-one
CID 136955900
tert-butyl N-[2-[4-chloro-6-[(5-cyano-1,3-thiazol-2-yl)amino]pyrimidin-2-yl]sulfanylethyl]carbamate
CID 86653417
4-[(1-ethylpyrazol-4-yl)amino]-2-methyl-1H-pyrimidin-6-one
CID 136956114
2-tert-butyl-4-[6-[(5-cyano-1,3-thiazol-2-yl)amino]-2-methylpyrimidin-4-yl]oxypiperidine-1-carboxylic acid
CID 87696576

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]-1,3-thiazole-5-carbonitrile?
The IUPAC name of 2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]-1,3-thiazole-5-carbonitrile (CID 142892805) is 2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]-1,3-thiazole-5-carbonitrile.
What is the SMILES notation for 2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]-1,3-thiazole-5-carbonitrile?
The canonical SMILES for 2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]-1,3-thiazole-5-carbonitrile is Cc1nc(Nc2ncc(C#N)s2)cc(=O)[nH]1.
What is the InChIKey of 2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]-1,3-thiazole-5-carbonitrile?
The InChIKey is WBSKDMXMZYOEHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N5OS/c1-5-12-7(2-8(15)13-5)14-9-11-4-6(3-10)16-9/h2,4H,1H3,(H2,11,12,13,14,15).
What are the key properties of 2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]-1,3-thiazole-5-carbonitrile?
2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]-1,3-thiazole-5-carbonitrile has a molecular weight of 233.26 g/mol, XLogP of 1.15, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]-1,3-thiazole-5-carbonitrile is sourced from PubChem (CID 142892805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).