2-(aminomethyl)-N-quinolin-6-yl-1,3-thiazole-4-carboxamide

C14H12N4OS — CID 66378461

IUPAC2-(aminomethyl)-N-quinolin-6-yl-1,3-thiazole-4-carboxamide
SMILESNCc1nc(C(=O)Nc2ccc3ncccc3c2)cs1
InChIInChI=1S/C14H12N4OS/c15-7-13-18-12(8-20-13)14(19)17-10-3-4-11-9(6-10)2-1-5-16-11/h1-6,8H,7,15H2,(H,17,19)
InChIKeyHUQJUKKPXUGSJC-UHFFFAOYSA-N
MW284.34 g/mol
LogP2.40
Rot. Bonds3

About 2-(aminomethyl)-N-quinolin-6-yl-1,3-thiazole-4-carboxamide

2-(aminomethyl)-N-quinolin-6-yl-1,3-thiazole-4-carboxamide (PubChem CID 66378461) has the molecular formula C14H12N4OS and a molecular weight of 284.34 g/mol. Its IUPAC name is 2-(aminomethyl)-N-quinolin-6-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-quinolin-6-yl-1,3-thiazole-4-carboxamide
PubChem CID66378461
Molecular FormulaC14H12N4OS
Molecular Weight284.34 g/mol
Exact Mass284.07
IUPAC Name2-(aminomethyl)-N-quinolin-6-yl-1,3-thiazole-4-carboxamide
SMILESNCc1nc(C(=O)Nc2ccc3ncccc3c2)cs1
InChIInChI=1S/C14H12N4OS/c15-7-13-18-12(8-20-13)14(19)17-10-3-4-11-9(6-10)2-1-5-16-11/h1-6,8H,7,15H2,(H,17,19)
InChIKeyHUQJUKKPXUGSJC-UHFFFAOYSA-N
XLogP2.40
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(aminomethyl)-N-pyridin-4-yl-1,3-thiazole-4-carboxamide
CID 66378569
N-quinolin-6-yl-1,3-thiazole-4-carboxamide
CID 63047708
2-(quinolin-6-ylcarbamoyl)-1,3-thiazole-4-carboxylic acid
CID 116697056
2-(aminomethyl)-N-(2-chloro-3-pyridinyl)-1,3-thiazole-4-carboxamide
CID 66377243
2-(aminomethyl)-N-pyridin-2-yl-1,3-thiazole-4-carboxamide
CID 66377402
2-(aminomethyl)-N-(3-bromo-4-iodophenyl)-1,3-thiazole-4-carboxamide
CID 113266598
2-(aminomethyl)-N-(3-ethoxyphenyl)-1,3-thiazole-4-carboxamide
CID 66378221
2-benzyl-N-quinoxalin-6-yl-1,3-thiazole-4-carboxamide
CID 28731409
4-[[2-(aminomethyl)-1,3-thiazole-4-carbonyl]amino]-2-methylbenzoic acid
CID 66378065
N-quinolin-6-ylbenzamide
CID 833617
2-(aminomethyl)-N-(3,4-dipropoxyphenyl)-1,3-thiazole-4-carboxamide
CID 119679447
2-(4-methylcyclohexa-2,4-dien-1-yl)-N-quinolin-6-yl-1,3-thiazole-4-carboxamide
CID 71214257

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-quinolin-6-yl-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(aminomethyl)-N-quinolin-6-yl-1,3-thiazole-4-carboxamide (CID 66378461) is 2-(aminomethyl)-N-quinolin-6-yl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(aminomethyl)-N-quinolin-6-yl-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(aminomethyl)-N-quinolin-6-yl-1,3-thiazole-4-carboxamide is NCc1nc(C(=O)Nc2ccc3ncccc3c2)cs1.
What is the InChIKey of 2-(aminomethyl)-N-quinolin-6-yl-1,3-thiazole-4-carboxamide?
The InChIKey is HUQJUKKPXUGSJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4OS/c15-7-13-18-12(8-20-13)14(19)17-10-3-4-11-9(6-10)2-1-5-16-11/h1-6,8H,7,15H2,(H,17,19).
What are the key properties of 2-(aminomethyl)-N-quinolin-6-yl-1,3-thiazole-4-carboxamide?
2-(aminomethyl)-N-quinolin-6-yl-1,3-thiazole-4-carboxamide has a molecular weight of 284.34 g/mol, XLogP of 2.40, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-quinolin-6-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 66378461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).