N-[4-[[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]amino]-4-oxobutyl]furan-2-carboxamide

C16H14ClN3O3S2 — CID 39754241

IUPACN-[4-[[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]amino]-4-oxobutyl]furan-2-carboxamide
SMILESO=C(CCCNC(=O)c1ccco1)Nc1nc(-c2ccc(Cl)s2)cs1
InChIInChI=1S/C16H14ClN3O3S2/c17-13-6-5-12(25-13)10-9-24-16(19-10)20-14(21)4-1-7-18-15(22)11-3-2-8-23-11/h2-3,5-6,8-9H,1,4,7H2,(H,18,22)(H,19,20,21)
InChIKeyANWYZXIAXLIAPO-UHFFFAOYSA-N
MW395.89 g/mol
LogP4.27
Rot. Bonds7

About N-[4-[[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]amino]-4-oxobutyl]furan-2-carboxamide

N-[4-[[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]amino]-4-oxobutyl]furan-2-carboxamide (PubChem CID 39754241) has the molecular formula C16H14ClN3O3S2 and a molecular weight of 395.89 g/mol. Its IUPAC name is N-[4-[[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]amino]-4-oxobutyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-[[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]amino]-4-oxobutyl]furan-2-carboxamide
PubChem CID39754241
Molecular FormulaC16H14ClN3O3S2
Molecular Weight395.89 g/mol
Exact Mass395.02
IUPAC NameN-[4-[[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]amino]-4-oxobutyl]furan-2-carboxamide
SMILESO=C(CCCNC(=O)c1ccco1)Nc1nc(-c2ccc(Cl)s2)cs1
InChIInChI=1S/C16H14ClN3O3S2/c17-13-6-5-12(25-13)10-9-24-16(19-10)20-14(21)4-1-7-18-15(22)11-3-2-8-23-11/h2-3,5-6,8-9H,1,4,7H2,(H,18,22)(H,19,20,21)
InChIKeyANWYZXIAXLIAPO-UHFFFAOYSA-N
XLogP4.27
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.89
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]furan-2-carboxamide
CID 2114344
N-[3-[[4-(2-methylphenyl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]furan-2-carboxamide
CID 39017008
N-[3-[(4-tert-butyl-1,3-thiazol-2-yl)amino]-3-oxopropyl]furan-2-carboxamide
CID 18077952
N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-4-(1,3-dioxoisoindol-2-yl)butanamide
CID 35721990
N-[4-[[4-[[(3S,5S)-3,5-dimethylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]amino]-4-oxobutyl]furan-2-carboxamide
CID 30190106
N-[3-[[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]furan-2-carboxamide
CID 26723709
3-(4-chlorophenyl)sulfanyl-N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]propanamide
CID 2444908
trans-(1R,2R)-N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-2-(furan-2-yl)cyclopropane-1-carboxamide
CID 95351827
trans-(1S,2S)-N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-2-(furan-2-yl)cyclopropane-1-carboxamide
CID 95351826
N-[4-[2-(butanoylamino)-1,3-thiazol-4-yl]phenyl]furan-2-carboxamide
CID 17392556
N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]pyridine-2-carboxamide
CID 4968210
N-[4-[(8-chloroquinolin-5-yl)amino]-4-oxobutyl]furan-2-carboxamide
CID 25335910

Frequently Asked Questions

What is the IUPAC name of N-[4-[[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]amino]-4-oxobutyl]furan-2-carboxamide?
The IUPAC name of N-[4-[[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]amino]-4-oxobutyl]furan-2-carboxamide (CID 39754241) is N-[4-[[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]amino]-4-oxobutyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-[[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]amino]-4-oxobutyl]furan-2-carboxamide?
The canonical SMILES for N-[4-[[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]amino]-4-oxobutyl]furan-2-carboxamide is O=C(CCCNC(=O)c1ccco1)Nc1nc(-c2ccc(Cl)s2)cs1.
What is the InChIKey of N-[4-[[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]amino]-4-oxobutyl]furan-2-carboxamide?
The InChIKey is ANWYZXIAXLIAPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O3S2/c17-13-6-5-12(25-13)10-9-24-16(19-10)20-14(21)4-1-7-18-15(22)11-3-2-8-23-11/h2-3,5-6,8-9H,1,4,7H2,(H,18,22)(H,19,20,21).
What are the key properties of N-[4-[[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]amino]-4-oxobutyl]furan-2-carboxamide?
N-[4-[[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]amino]-4-oxobutyl]furan-2-carboxamide has a molecular weight of 395.89 g/mol, XLogP of 4.27, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]amino]-4-oxobutyl]furan-2-carboxamide is sourced from PubChem (CID 39754241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).