N-(cyclopropylmethyl)-4-methyl-1,3-thiazole-5-carboxamide

C9H12N2OS — CID 126987991

IUPACN-(cyclopropylmethyl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1ncsc1C(=O)NCC1CC1
InChIInChI=1S/C9H12N2OS/c1-6-8(13-5-11-6)9(12)10-4-7-2-3-7/h5,7H,2-4H2,1H3,(H,10,12)
InChIKeyBBHRBBDNDGRKKG-UHFFFAOYSA-N
MW196.27 g/mol
LogP1.59
Rot. Bonds3

About N-(cyclopropylmethyl)-4-methyl-1,3-thiazole-5-carboxamide

N-(cyclopropylmethyl)-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 126987991) has the molecular formula C9H12N2OS and a molecular weight of 196.27 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID126987991
Molecular FormulaC9H12N2OS
Molecular Weight196.27 g/mol
Exact Mass196.07
IUPAC NameN-(cyclopropylmethyl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1ncsc1C(=O)NCC1CC1
InChIInChI=1S/C9H12N2OS/c1-6-8(13-5-11-6)9(12)10-4-7-2-3-7/h5,7H,2-4H2,1H3,(H,10,12)
InChIKeyBBHRBBDNDGRKKG-UHFFFAOYSA-N
XLogP1.59
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.27
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-N-(piperidin-3-ylmethyl)-1,3-thiazole-5-carboxamide;dihydrochloride
CID 119459915
N-(2-amino-2-methylpropyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 81482463
4-methyl-N-(2-pyrrolidin-3-ylethyl)-1,3-thiazole-5-carboxamide;dihydrochloride
CID 119533474
4-methyl-N-(morpholin-2-ylmethyl)-1,3-thiazole-5-carboxamide
CID 115323889
4-methyl-N-(2-methylprop-2-enyl)-1,3-thiazole-5-carboxamide
CID 114618761
N-butyl-4-methyl-1,3-thiazole-5-carboxamide
CID 110848200
N-(2-amino-2-sulfanylideneethyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 61126703
4-methyl-N-(2-piperidin-3-ylethyl)-1,3-thiazole-5-carboxamide;dihydrochloride
CID 119555064
N-[[1-(hydroxymethyl)cyclopropyl]methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 80711605
4-methyl-N-(2-pyrrolidin-2-ylethyl)-1,3-thiazole-5-carboxamide
CID 114793983
4-methyl-N-(2-oxa-9-azaspiro[5.5]undecan-3-ylmethyl)-1,3-thiazole-5-carboxamide
CID 118741564
N-[[(3S)-1-[(2-cyanophenyl)methyl]pyrrolidin-3-yl]methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 95202610

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-4-methyl-1,3-thiazole-5-carboxamide (CID 126987991) is N-(cyclopropylmethyl)-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-4-methyl-1,3-thiazole-5-carboxamide is Cc1ncsc1C(=O)NCC1CC1.
What is the InChIKey of N-(cyclopropylmethyl)-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is BBHRBBDNDGRKKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2OS/c1-6-8(13-5-11-6)9(12)10-4-7-2-3-7/h5,7H,2-4H2,1H3,(H,10,12).
What are the key properties of N-(cyclopropylmethyl)-4-methyl-1,3-thiazole-5-carboxamide?
N-(cyclopropylmethyl)-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 196.27 g/mol, XLogP of 1.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 126987991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).