3-chloro-2-(1,3-thiazol-4-ylmethylamino)pyridine-4-carbonitrile

C10H7ClN4S — CID 107057764

IUPAC3-chloro-2-(1,3-thiazol-4-ylmethylamino)pyridine-4-carbonitrile
SMILESN#Cc1ccnc(NCc2cscn2)c1Cl
InChIInChI=1S/C10H7ClN4S/c11-9-7(3-12)1-2-13-10(9)14-4-8-5-16-6-15-8/h1-2,5-6H,4H2,(H,13,14)
InChIKeyCHLFETVDLLGUBB-UHFFFAOYSA-N
MW250.71 g/mol
LogP2.68
Rot. Bonds3

About 3-chloro-2-(1,3-thiazol-4-ylmethylamino)pyridine-4-carbonitrile

3-chloro-2-(1,3-thiazol-4-ylmethylamino)pyridine-4-carbonitrile (PubChem CID 107057764) has the molecular formula C10H7ClN4S and a molecular weight of 250.71 g/mol. Its IUPAC name is 3-chloro-2-(1,3-thiazol-4-ylmethylamino)pyridine-4-carbonitrile.

Molecular Properties

Compound Name3-chloro-2-(1,3-thiazol-4-ylmethylamino)pyridine-4-carbonitrile
PubChem CID107057764
Molecular FormulaC10H7ClN4S
Molecular Weight250.71 g/mol
Exact Mass250.01
IUPAC Name3-chloro-2-(1,3-thiazol-4-ylmethylamino)pyridine-4-carbonitrile
SMILESN#Cc1ccnc(NCc2cscn2)c1Cl
InChIInChI=1S/C10H7ClN4S/c11-9-7(3-12)1-2-13-10(9)14-4-8-5-16-6-15-8/h1-2,5-6H,4H2,(H,13,14)
InChIKeyCHLFETVDLLGUBB-UHFFFAOYSA-N
XLogP2.68
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.71
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(1,3-thiazol-4-ylmethylamino)pyridazine-4-carbonitrile
CID 80509682
3-chloro-2-[(5-methylpyrazin-2-yl)methylamino]pyridine-4-carbonitrile
CID 107057587
2-chloro-5-(1,3-thiazol-4-ylmethylamino)benzonitrile
CID 60721480
3-chloro-2-[(4-methyl-1,3-thiazol-2-yl)methylamino]pyridine-4-carbonitrile
CID 107057231
5-[[(3-chloro-4-cyano-2-pyridinyl)amino]methyl]furan-2-carboxylic acid
CID 107056526
2-[(2-amino-2-methylpropyl)amino]-3-chloropyridine-4-carbonitrile
CID 107061368
3-chloro-2-[[4-(trifluoromethyl)phenyl]methylamino]pyridine-4-carbonitrile
CID 107057599
3-chloro-2-[(4-methoxyphenyl)methylamino]pyridine-4-carbonitrile
CID 107056731
3-chloro-2-(2-methylsulfinylethylamino)pyridine-4-carbonitrile
CID 107058420
5-nitro-2-(1,3-thiazol-4-ylmethylamino)benzonitrile
CID 55149859
4-(1,3-thiazol-4-ylmethylamino)quinoline-3-carbonitrile
CID 55258412
3-chloro-2-(2-pyrrolidin-1-ylpropylamino)pyridine-4-carbonitrile
CID 107058127

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-(1,3-thiazol-4-ylmethylamino)pyridine-4-carbonitrile?
The IUPAC name of 3-chloro-2-(1,3-thiazol-4-ylmethylamino)pyridine-4-carbonitrile (CID 107057764) is 3-chloro-2-(1,3-thiazol-4-ylmethylamino)pyridine-4-carbonitrile.
What is the SMILES notation for 3-chloro-2-(1,3-thiazol-4-ylmethylamino)pyridine-4-carbonitrile?
The canonical SMILES for 3-chloro-2-(1,3-thiazol-4-ylmethylamino)pyridine-4-carbonitrile is N#Cc1ccnc(NCc2cscn2)c1Cl.
What is the InChIKey of 3-chloro-2-(1,3-thiazol-4-ylmethylamino)pyridine-4-carbonitrile?
The InChIKey is CHLFETVDLLGUBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClN4S/c11-9-7(3-12)1-2-13-10(9)14-4-8-5-16-6-15-8/h1-2,5-6H,4H2,(H,13,14).
What are the key properties of 3-chloro-2-(1,3-thiazol-4-ylmethylamino)pyridine-4-carbonitrile?
3-chloro-2-(1,3-thiazol-4-ylmethylamino)pyridine-4-carbonitrile has a molecular weight of 250.71 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-(1,3-thiazol-4-ylmethylamino)pyridine-4-carbonitrile is sourced from PubChem (CID 107057764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).