2-cyclopropyl-N,N-diethyl-4-methyl-1,3-thiazole-5-carboxamide

C12H18N2OS — CID 110694363

IUPAC2-cyclopropyl-N,N-diethyl-4-methyl-1,3-thiazole-5-carboxamide
SMILESCCN(CC)C(=O)c1sc(C2CC2)nc1C
InChIInChI=1S/C12H18N2OS/c1-4-14(5-2)12(15)10-8(3)13-11(16-10)9-6-7-9/h9H,4-7H2,1-3H3
InChIKeyYJXRZLJSOBBKBP-UHFFFAOYSA-N
MW238.36 g/mol
LogP2.81
Rot. Bonds4

About 2-cyclopropyl-N,N-diethyl-4-methyl-1,3-thiazole-5-carboxamide

2-cyclopropyl-N,N-diethyl-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 110694363) has the molecular formula C12H18N2OS and a molecular weight of 238.36 g/mol. Its IUPAC name is 2-cyclopropyl-N,N-diethyl-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-cyclopropyl-N,N-diethyl-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID110694363
Molecular FormulaC12H18N2OS
Molecular Weight238.36 g/mol
Exact Mass238.11
IUPAC Name2-cyclopropyl-N,N-diethyl-4-methyl-1,3-thiazole-5-carboxamide
SMILESCCN(CC)C(=O)c1sc(C2CC2)nc1C
InChIInChI=1S/C12H18N2OS/c1-4-14(5-2)12(15)10-8(3)13-11(16-10)9-6-7-9/h9H,4-7H2,1-3H3
InChIKeyYJXRZLJSOBBKBP-UHFFFAOYSA-N
XLogP2.81
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.36
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-ethylcyclohexyl)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 65394954
N-butyl-2-cyclopropyl-4-methyl-1,3-thiazole-5-carboxamide
CID 110694293
2-cyclobutyl-4-methyl-1,3-thiazole-5-carboxylic acid
CID 64982497
2-cyclopropyl-4-methyl-N-(pyridin-4-ylmethyl)-1,3-thiazole-5-carboxamide
CID 110694330
(2-cyclopropyl-4-methyl-1,3-thiazol-5-yl)-(4-methylpiperazin-1-yl)methanone
CID 110694309
2-cyclopentyl-N,4-dimethyl-N-pyrrolidin-3-yl-1,3-thiazole-5-carboxamide
CID 119554200
2-cyclopentyl-4-methyl-N-[2-(methylamino)ethyl]-1,3-thiazole-5-carboxamide;dihydrochloride
CID 119503859
ethyl 2-cyclopropyl-4-(hydroxymethyl)-1,3-thiazole-5-carboxylate
CID 163219311
2-cyclopentyl-4-methyl-N-[3-(methylamino)propyl]-1,3-thiazole-5-carboxamide;dihydrochloride
CID 119433713
[3-(dimethylamino)-3-oxopropyl] 2-cyclopentyl-4-methyl-1,3-thiazole-5-carboxylate
CID 71988153
2-(1-ethylpiperidin-3-yl)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 91811972
2-[[5-(diethylcarbamoyl)-4-[2-[5-(diethylcarbamoyl)-2-[[5-(diethylcarbamoyl)-4-methyl-1,3-thiazol-2-yl]amino]-1,3-thiazol-4-yl]propan-2-yl]-1,3-thiazol-2-yl]amino]-N,N-diethyl-4-methyl-1,3-thiazole-5-carboxamide
CID 59707810

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N,N-diethyl-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-cyclopropyl-N,N-diethyl-4-methyl-1,3-thiazole-5-carboxamide (CID 110694363) is 2-cyclopropyl-N,N-diethyl-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-cyclopropyl-N,N-diethyl-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-cyclopropyl-N,N-diethyl-4-methyl-1,3-thiazole-5-carboxamide is CCN(CC)C(=O)c1sc(C2CC2)nc1C.
What is the InChIKey of 2-cyclopropyl-N,N-diethyl-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is YJXRZLJSOBBKBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2OS/c1-4-14(5-2)12(15)10-8(3)13-11(16-10)9-6-7-9/h9H,4-7H2,1-3H3.
What are the key properties of 2-cyclopropyl-N,N-diethyl-4-methyl-1,3-thiazole-5-carboxamide?
2-cyclopropyl-N,N-diethyl-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 238.36 g/mol, XLogP of 2.81, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N,N-diethyl-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 110694363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).