2-methyl-N-[4-[2-oxo-2-(2-pyrrolidin-3-ylethylamino)ethyl]-1,3-thiazol-2-yl]furan-3-carboxamide

C17H22N4O3S — CID 119536067

IUPAC2-methyl-N-[4-[2-oxo-2-(2-pyrrolidin-3-ylethylamino)ethyl]-1,3-thiazol-2-yl]furan-3-carboxamide
SMILESCc1occc1C(=O)Nc1nc(CC(=O)NCCC2CCNC2)cs1
InChIInChI=1S/C17H22N4O3S/c1-11-14(4-7-24-11)16(23)21-17-20-13(10-25-17)8-15(22)19-6-3-12-2-5-18-9-12/h4,7,10,12,18H,2-3,5-6,8-9H2,1H3,(H,19,22)(H,20,21,23)
InChIKeyDGZKVSNMNLNKRO-UHFFFAOYSA-N
MW362.46 g/mol
LogP1.96
Rot. Bonds7

About 2-methyl-N-[4-[2-oxo-2-(2-pyrrolidin-3-ylethylamino)ethyl]-1,3-thiazol-2-yl]furan-3-carboxamide

2-methyl-N-[4-[2-oxo-2-(2-pyrrolidin-3-ylethylamino)ethyl]-1,3-thiazol-2-yl]furan-3-carboxamide (PubChem CID 119536067) has the molecular formula C17H22N4O3S and a molecular weight of 362.46 g/mol. Its IUPAC name is 2-methyl-N-[4-[2-oxo-2-(2-pyrrolidin-3-ylethylamino)ethyl]-1,3-thiazol-2-yl]furan-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[4-[2-oxo-2-(2-pyrrolidin-3-ylethylamino)ethyl]-1,3-thiazol-2-yl]furan-3-carboxamide
PubChem CID119536067
Molecular FormulaC17H22N4O3S
Molecular Weight362.46 g/mol
Exact Mass362.14
IUPAC Name2-methyl-N-[4-[2-oxo-2-(2-pyrrolidin-3-ylethylamino)ethyl]-1,3-thiazol-2-yl]furan-3-carboxamide
SMILESCc1occc1C(=O)Nc1nc(CC(=O)NCCC2CCNC2)cs1
InChIInChI=1S/C17H22N4O3S/c1-11-14(4-7-24-11)16(23)21-17-20-13(10-25-17)8-15(22)19-6-3-12-2-5-18-9-12/h4,7,10,12,18H,2-3,5-6,8-9H2,1H3,(H,19,22)(H,20,21,23)
InChIKeyDGZKVSNMNLNKRO-UHFFFAOYSA-N
XLogP1.96
TPSA96.26 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.46
LogP ≤ 51.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[2-[(4-aminocyclohexyl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide
CID 119477021
2-methyl-N-[4-[2-oxo-2-(oxolan-3-ylmethylamino)ethyl]-1,3-thiazol-2-yl]furan-3-carboxamide
CID 47045235
N-[4-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide
CID 46488883
2-methyl-N-[4-[2-oxo-2-(2-piperidin-3-ylethylamino)ethyl]-1,3-thiazol-2-yl]propanamide
CID 119556347
2-methyl-N-[4-[2-oxo-2-[1-(oxolan-3-yl)ethylamino]ethyl]-1,3-thiazol-2-yl]furan-3-carboxamide
CID 119042005
ethyl 2-[2-[[2-[2-[(2-methylfuran-3-carbonyl)amino]-1,3-thiazol-4-yl]acetyl]amino]-1,3-thiazol-4-yl]acetate
CID 46492925
N-[4-[2-[[2-(aminomethyl)cyclopentyl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide;dihydrochloride
CID 119603182
N-[4-[2-(3-cyclopentyloxyanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide
CID 55761426
N-[4-[2-(3,4-dimethoxyanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide
CID 46488414
2-[cyclopropyl-[2-[2-[(2-methylfuran-3-carbonyl)amino]-1,3-thiazol-4-yl]acetyl]amino]propanoic acid
CID 122067280
N-[4-[2-[[(2S)-1-methoxy-3-phenylpropan-2-yl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide
CID 95786320
N-[4-[2-[4-[2-(ethylamino)-2-oxoethoxy]anilino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide
CID 55760541

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[4-[2-oxo-2-(2-pyrrolidin-3-ylethylamino)ethyl]-1,3-thiazol-2-yl]furan-3-carboxamide?
The IUPAC name of 2-methyl-N-[4-[2-oxo-2-(2-pyrrolidin-3-ylethylamino)ethyl]-1,3-thiazol-2-yl]furan-3-carboxamide (CID 119536067) is 2-methyl-N-[4-[2-oxo-2-(2-pyrrolidin-3-ylethylamino)ethyl]-1,3-thiazol-2-yl]furan-3-carboxamide.
What is the SMILES notation for 2-methyl-N-[4-[2-oxo-2-(2-pyrrolidin-3-ylethylamino)ethyl]-1,3-thiazol-2-yl]furan-3-carboxamide?
The canonical SMILES for 2-methyl-N-[4-[2-oxo-2-(2-pyrrolidin-3-ylethylamino)ethyl]-1,3-thiazol-2-yl]furan-3-carboxamide is Cc1occc1C(=O)Nc1nc(CC(=O)NCCC2CCNC2)cs1.
What is the InChIKey of 2-methyl-N-[4-[2-oxo-2-(2-pyrrolidin-3-ylethylamino)ethyl]-1,3-thiazol-2-yl]furan-3-carboxamide?
The InChIKey is DGZKVSNMNLNKRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3S/c1-11-14(4-7-24-11)16(23)21-17-20-13(10-25-17)8-15(22)19-6-3-12-2-5-18-9-12/h4,7,10,12,18H,2-3,5-6,8-9H2,1H3,(H,19,22)(H,20,21,23).
What are the key properties of 2-methyl-N-[4-[2-oxo-2-(2-pyrrolidin-3-ylethylamino)ethyl]-1,3-thiazol-2-yl]furan-3-carboxamide?
2-methyl-N-[4-[2-oxo-2-(2-pyrrolidin-3-ylethylamino)ethyl]-1,3-thiazol-2-yl]furan-3-carboxamide has a molecular weight of 362.46 g/mol, XLogP of 1.96, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[4-[2-oxo-2-(2-pyrrolidin-3-ylethylamino)ethyl]-1,3-thiazol-2-yl]furan-3-carboxamide is sourced from PubChem (CID 119536067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).