N-(2-amino-2-oxoethyl)-N-cyclopentyl-2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carboxamide

C16H19N3O3S — CID 56813177

IUPACN-(2-amino-2-oxoethyl)-N-cyclopentyl-2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carboxamide
SMILESCc1sc(-c2ccco2)nc1C(=O)N(CC(N)=O)C1CCCC1
InChIInChI=1S/C16H19N3O3S/c1-10-14(18-15(23-10)12-7-4-8-22-12)16(21)19(9-13(17)20)11-5-2-3-6-11/h4,7-8,11H,2-3,5-6,9H2,1H3,(H2,17,20)
InChIKeyUGLSOMOKCBXBHQ-UHFFFAOYSA-N
MW333.41 g/mol
LogP2.58
Rot. Bonds5

About N-(2-amino-2-oxoethyl)-N-cyclopentyl-2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carboxamide

N-(2-amino-2-oxoethyl)-N-cyclopentyl-2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carboxamide (PubChem CID 56813177) has the molecular formula C16H19N3O3S and a molecular weight of 333.41 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-N-cyclopentyl-2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-N-cyclopentyl-2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carboxamide
PubChem CID56813177
Molecular FormulaC16H19N3O3S
Molecular Weight333.41 g/mol
Exact Mass333.11
IUPAC NameN-(2-amino-2-oxoethyl)-N-cyclopentyl-2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carboxamide
SMILESCc1sc(-c2ccco2)nc1C(=O)N(CC(N)=O)C1CCCC1
InChIInChI=1S/C16H19N3O3S/c1-10-14(18-15(23-10)12-7-4-8-22-12)16(21)19(9-13(17)20)11-5-2-3-6-11/h4,7-8,11H,2-3,5-6,9H2,1H3,(H2,17,20)
InChIKeyUGLSOMOKCBXBHQ-UHFFFAOYSA-N
XLogP2.58
TPSA89.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]furan-2-carboxamide
CID 7202369
[2-(furan-2-yl)-1,3-thiazol-4-yl]-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)methanone
CID 42889999
2-bromo-N-(2-furylmethyl)-5-isopropyl-1,3-thiazole-4-carboxamide
CID 71709637
(2-(Furan-2-yl)-1,3-thiazol-4-yl)methanamine
CID 60718965
N-[[5-[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]furan-2-yl]methyl]acetamide
CID 10826541
N,N-dimethyl-2-[4-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]acetamide
CID 36935480
N-ethyl-1-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]piperidine-4-carboxamide
CID 36956866
N-(2-acetamidoethyl)-2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carboxamide
CID 37658656
2-(5-methylfuran-2-yl)-N-(2-morpholin-4-ylethyl)-1,3-thiazole-4-carboxamide
CID 38416914
2-(furan-2-yl)-N-methyl-1,3-thiazole-4-carboxamide
CID 39975237
1-[4-[2-(Furan-2-yl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-3-methylbutan-1-one
CID 39975861
Azocan-1-yl-[2-(furan-2-yl)-5-methyl-1,3-thiazol-4-yl]methanone
CID 40001672

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-N-cyclopentyl-2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-N-cyclopentyl-2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carboxamide (CID 56813177) is N-(2-amino-2-oxoethyl)-N-cyclopentyl-2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-N-cyclopentyl-2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-N-cyclopentyl-2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carboxamide is Cc1sc(-c2ccco2)nc1C(=O)N(CC(N)=O)C1CCCC1.
What is the InChIKey of N-(2-amino-2-oxoethyl)-N-cyclopentyl-2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carboxamide?
The InChIKey is UGLSOMOKCBXBHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3S/c1-10-14(18-15(23-10)12-7-4-8-22-12)16(21)19(9-13(17)20)11-5-2-3-6-11/h4,7-8,11H,2-3,5-6,9H2,1H3,(H2,17,20).
What are the key properties of N-(2-amino-2-oxoethyl)-N-cyclopentyl-2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carboxamide?
N-(2-amino-2-oxoethyl)-N-cyclopentyl-2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carboxamide has a molecular weight of 333.41 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethyl)-N-cyclopentyl-2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 56813177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).