2-[[4-(hydroxymethyl)-5-methyl-2-pyridinyl]amino]-1,3-thiazole-5-carbonitrile

C11H10N4OS — CID 22504291

IUPAC2-[[4-(hydroxymethyl)-5-methyl-2-pyridinyl]amino]-1,3-thiazole-5-carbonitrile
SMILESCc1cnc(Nc2ncc(C#N)s2)cc1CO
InChIInChI=1S/C11H10N4OS/c1-7-4-13-10(2-8(7)6-16)15-11-14-5-9(3-12)17-11/h2,4-5,16H,6H2,1H3,(H,13,14,15)
InChIKeyGKWWXVJLBJWPTM-UHFFFAOYSA-N
MW246.29 g/mol
LogP1.95
Rot. Bonds3

About 2-[[4-(hydroxymethyl)-5-methyl-2-pyridinyl]amino]-1,3-thiazole-5-carbonitrile

2-[[4-(hydroxymethyl)-5-methyl-2-pyridinyl]amino]-1,3-thiazole-5-carbonitrile (PubChem CID 22504291) has the molecular formula C11H10N4OS and a molecular weight of 246.29 g/mol. Its IUPAC name is 2-[[4-(hydroxymethyl)-5-methyl-2-pyridinyl]amino]-1,3-thiazole-5-carbonitrile.

Molecular Properties

Compound Name2-[[4-(hydroxymethyl)-5-methyl-2-pyridinyl]amino]-1,3-thiazole-5-carbonitrile
PubChem CID22504291
Molecular FormulaC11H10N4OS
Molecular Weight246.29 g/mol
Exact Mass246.06
IUPAC Name2-[[4-(hydroxymethyl)-5-methyl-2-pyridinyl]amino]-1,3-thiazole-5-carbonitrile
SMILESCc1cnc(Nc2ncc(C#N)s2)cc1CO
InChIInChI=1S/C11H10N4OS/c1-7-4-13-10(2-8(7)6-16)15-11-14-5-9(3-12)17-11/h2,4-5,16H,6H2,1H3,(H,13,14,15)
InChIKeyGKWWXVJLBJWPTM-UHFFFAOYSA-N
XLogP1.95
TPSA81.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.29
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]-1,3-thiazole-5-carbonitrile
CID 142892805
2-[[5-(trifluoromethyl)-2-pyridinyl]amino]-1,3-thiazole-5-carbonitrile
CID 18506909
2-[[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]amino]-1,3-thiazole-5-carbonitrile
CID 21132139
2-[[4-[(4-hydroxypiperidin-1-yl)methyl]-2-pyridinyl]amino]-1,3-thiazole-5-carbonitrile
CID 18506929
N-(5-cyano-1,3-thiazol-2-yl)-3-methylbenzamide
CID 90603545
4-[4-(hydroxymethyl)-5-methyl-2-pyridinyl]-3,5-dimethylbenzonitrile
CID 175591987
4-(hydroxymethyl)-5-methylthiophene-2-carbonitrile
CID 89336705
2-[[6-(4-aminopiperidin-1-yl)pyrimidin-4-yl]amino]-1,3-thiazole-5-carbonitrile;ethane;sulfane
CID 142145219
CID 20770457
CID 20770457
2-chloro-N-(5-cyano-1,3-thiazol-2-yl)acetamide
CID 166432032
2-[4-[6-[(5-cyano-1,3-thiazol-2-yl)amino]-2-methylpyrimidin-4-yl]oxypiperidin-1-yl]acetic acid
CID 87696675
N-(5-cyano-1,3-thiazol-2-yl)-5-methyl-1,2-oxazole-3-carboxamide
CID 90603668

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(hydroxymethyl)-5-methyl-2-pyridinyl]amino]-1,3-thiazole-5-carbonitrile?
The IUPAC name of 2-[[4-(hydroxymethyl)-5-methyl-2-pyridinyl]amino]-1,3-thiazole-5-carbonitrile (CID 22504291) is 2-[[4-(hydroxymethyl)-5-methyl-2-pyridinyl]amino]-1,3-thiazole-5-carbonitrile.
What is the SMILES notation for 2-[[4-(hydroxymethyl)-5-methyl-2-pyridinyl]amino]-1,3-thiazole-5-carbonitrile?
The canonical SMILES for 2-[[4-(hydroxymethyl)-5-methyl-2-pyridinyl]amino]-1,3-thiazole-5-carbonitrile is Cc1cnc(Nc2ncc(C#N)s2)cc1CO.
What is the InChIKey of 2-[[4-(hydroxymethyl)-5-methyl-2-pyridinyl]amino]-1,3-thiazole-5-carbonitrile?
The InChIKey is GKWWXVJLBJWPTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4OS/c1-7-4-13-10(2-8(7)6-16)15-11-14-5-9(3-12)17-11/h2,4-5,16H,6H2,1H3,(H,13,14,15).
What are the key properties of 2-[[4-(hydroxymethyl)-5-methyl-2-pyridinyl]amino]-1,3-thiazole-5-carbonitrile?
2-[[4-(hydroxymethyl)-5-methyl-2-pyridinyl]amino]-1,3-thiazole-5-carbonitrile has a molecular weight of 246.29 g/mol, XLogP of 1.95, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(hydroxymethyl)-5-methyl-2-pyridinyl]amino]-1,3-thiazole-5-carbonitrile is sourced from PubChem (CID 22504291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).