2-(aminomethyl)-5-pyridin-3-yl-1,3-thiazole-4-carbonitrile

C10H8N4S — CID 82471501

IUPAC2-(aminomethyl)-5-pyridin-3-yl-1,3-thiazole-4-carbonitrile
SMILESN#Cc1nc(CN)sc1-c1cccnc1
InChIInChI=1S/C10H8N4S/c11-4-8-10(15-9(5-12)14-8)7-2-1-3-13-6-7/h1-3,6H,5,12H2
InChIKeyABFILGZBEWOPNQ-UHFFFAOYSA-N
MW216.27 g/mol
LogP1.54
Rot. Bonds2

About 2-(aminomethyl)-5-pyridin-3-yl-1,3-thiazole-4-carbonitrile

2-(aminomethyl)-5-pyridin-3-yl-1,3-thiazole-4-carbonitrile (PubChem CID 82471501) has the molecular formula C10H8N4S and a molecular weight of 216.27 g/mol. Its IUPAC name is 2-(aminomethyl)-5-pyridin-3-yl-1,3-thiazole-4-carbonitrile.

Molecular Properties

Compound Name2-(aminomethyl)-5-pyridin-3-yl-1,3-thiazole-4-carbonitrile
PubChem CID82471501
Molecular FormulaC10H8N4S
Molecular Weight216.27 g/mol
Exact Mass216.05
IUPAC Name2-(aminomethyl)-5-pyridin-3-yl-1,3-thiazole-4-carbonitrile
SMILESN#Cc1nc(CN)sc1-c1cccnc1
InChIInChI=1S/C10H8N4S/c11-4-8-10(15-9(5-12)14-8)7-2-1-3-13-6-7/h1-3,6H,5,12H2
InChIKeyABFILGZBEWOPNQ-UHFFFAOYSA-N
XLogP1.54
TPSA75.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.27
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(aminomethyl)-5-(4-methoxyphenyl)-1,3-thiazole-4-carbonitrile
CID 82479008
(5-methyl-4-pyridin-3-yl-1,3-thiazol-2-yl)methanamine
CID 82106363
[5-(3-fluorophenyl)-4-pyridin-3-yl-1,3-thiazol-2-yl]methanamine
CID 82106836
2-(4-methyl-5-pyridin-3-yl-1,3-thiazol-2-yl)ethanamine
CID 39244014
4-methyl-5-pyridin-3-yl-1,3-thiazole-2-carbonitrile
CID 165447959
(5-cyclopentyl-4-pyridin-3-yl-1,3-thiazol-2-yl)methanamine
CID 82106833
5-methylsulfinyl-2-pyridin-3-yl-1,3-thiazole-4-carbonitrile
CID 161077475
3-chloro-5-pyridin-3-yl-1,2-thiazole-4-carbonitrile
CID 86767902
[4-methyl-2-(pyridin-3-ylmethyl)-1,3-thiazol-5-yl]methanamine
CID 62551037
2-ethyl-5-phenyl-4-pyridin-3-yl-1,3-thiazole
CID 22993797
benzyl N-(4-cyano-2-pyridin-3-yl-1,3-oxazol-5-yl)carbamate
CID 135394527
[4-(2-methylpropyl)-2-pyridin-3-yl-1,3-thiazol-5-yl]methanamine
CID 114362218

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-5-pyridin-3-yl-1,3-thiazole-4-carbonitrile?
The IUPAC name of 2-(aminomethyl)-5-pyridin-3-yl-1,3-thiazole-4-carbonitrile (CID 82471501) is 2-(aminomethyl)-5-pyridin-3-yl-1,3-thiazole-4-carbonitrile.
What is the SMILES notation for 2-(aminomethyl)-5-pyridin-3-yl-1,3-thiazole-4-carbonitrile?
The canonical SMILES for 2-(aminomethyl)-5-pyridin-3-yl-1,3-thiazole-4-carbonitrile is N#Cc1nc(CN)sc1-c1cccnc1.
What is the InChIKey of 2-(aminomethyl)-5-pyridin-3-yl-1,3-thiazole-4-carbonitrile?
The InChIKey is ABFILGZBEWOPNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N4S/c11-4-8-10(15-9(5-12)14-8)7-2-1-3-13-6-7/h1-3,6H,5,12H2.
What are the key properties of 2-(aminomethyl)-5-pyridin-3-yl-1,3-thiazole-4-carbonitrile?
2-(aminomethyl)-5-pyridin-3-yl-1,3-thiazole-4-carbonitrile has a molecular weight of 216.27 g/mol, XLogP of 1.54, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-5-pyridin-3-yl-1,3-thiazole-4-carbonitrile is sourced from PubChem (CID 82471501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).