2-(cyclopropylmethylamino)-1,3-thiazole-5-carboxamide

C8H11N3OS — CID 174641583

IUPAC2-(cyclopropylmethylamino)-1,3-thiazole-5-carboxamide
SMILESNC(=O)c1cnc(NCC2CC2)s1
InChIInChI=1S/C8H11N3OS/c9-7(12)6-4-11-8(13-6)10-3-5-1-2-5/h4-5H,1-3H2,(H2,9,12)(H,10,11)
InChIKeyPHMVENWLEXJKCG-UHFFFAOYSA-N
MW197.26 g/mol
LogP1.06
Rot. Bonds4

About 2-(cyclopropylmethylamino)-1,3-thiazole-5-carboxamide

2-(cyclopropylmethylamino)-1,3-thiazole-5-carboxamide (PubChem CID 174641583) has the molecular formula C8H11N3OS and a molecular weight of 197.26 g/mol. Its IUPAC name is 2-(cyclopropylmethylamino)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(cyclopropylmethylamino)-1,3-thiazole-5-carboxamide
PubChem CID174641583
Molecular FormulaC8H11N3OS
Molecular Weight197.26 g/mol
Exact Mass197.06
IUPAC Name2-(cyclopropylmethylamino)-1,3-thiazole-5-carboxamide
SMILESNC(=O)c1cnc(NCC2CC2)s1
InChIInChI=1S/C8H11N3OS/c9-7(12)6-4-11-8(13-6)10-3-5-1-2-5/h4-5H,1-3H2,(H2,9,12)(H,10,11)
InChIKeyPHMVENWLEXJKCG-UHFFFAOYSA-N
XLogP1.06
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.26
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(cyclopentylmethylamino)-1,3-thiazole-5-carboxamide
CID 174641579
2-(prop-2-enylamino)-1,3-thiazole-5-carboxamide
CID 131041386
2-[(3-hydroxycyclobutyl)methylamino]-1,3-thiazole-5-carboxylic acid
CID 130569074
2-[[2-[4-(trifluoromethyl)cyclohexyl]acetyl]amino]-1,3-thiazole-5-carboxamide
CID 131960937
methyl 2-[(2-methylcyclohexyl)methylamino]-1,3-thiazole-5-carboxylate
CID 80571019
2-[2-[(5-formyl-1,3-thiazol-2-yl)amino]ethylamino]-1,3-thiazole-5-carboxamide
CID 123581458
methyl 2-[(1-propan-2-ylpyrrolidin-3-yl)methylamino]-1,3-thiazole-5-carboxylate
CID 80571216
2-(thiolan-2-ylmethylamino)-1,3-thiazole-5-carboxylic acid
CID 80587042
2-[(1-methylcyclopropyl)amino]-1,3-thiazole-5-carboxamide
CID 175794339
N-(cyclobutylmethyl)-5-nitro-1,3-thiazol-2-amine
CID 102770437
2-[(2,2-dichlorocyclopropanecarbonyl)amino]-1,3-thiazole-5-carboxamide
CID 78828059
2-(thian-2-ylmethylamino)-1,3-thiazole-5-carboxylic acid
CID 80612543

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethylamino)-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(cyclopropylmethylamino)-1,3-thiazole-5-carboxamide (CID 174641583) is 2-(cyclopropylmethylamino)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(cyclopropylmethylamino)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(cyclopropylmethylamino)-1,3-thiazole-5-carboxamide is NC(=O)c1cnc(NCC2CC2)s1.
What is the InChIKey of 2-(cyclopropylmethylamino)-1,3-thiazole-5-carboxamide?
The InChIKey is PHMVENWLEXJKCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3OS/c9-7(12)6-4-11-8(13-6)10-3-5-1-2-5/h4-5H,1-3H2,(H2,9,12)(H,10,11).
What are the key properties of 2-(cyclopropylmethylamino)-1,3-thiazole-5-carboxamide?
2-(cyclopropylmethylamino)-1,3-thiazole-5-carboxamide has a molecular weight of 197.26 g/mol, XLogP of 1.06, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethylamino)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 174641583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).