N-[3-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]furan-2-carboxamide

C18H17N3O3S — CID 2114344

IUPACN-[3-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]furan-2-carboxamide
SMILESCc1ccc(-c2csc(NC(=O)CCNC(=O)c3ccco3)n2)cc1
InChIInChI=1S/C18H17N3O3S/c1-12-4-6-13(7-5-12)14-11-25-18(20-14)21-16(22)8-9-19-17(23)15-3-2-10-24-15/h2-7,10-11H,8-9H2,1H3,(H,19,23)(H,20,21,22)
InChIKeyKPXCJWCLABBWLA-UHFFFAOYSA-N
MW355.42 g/mol
LogP3.47
Rot. Bonds6

About N-[3-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]furan-2-carboxamide

N-[3-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]furan-2-carboxamide (PubChem CID 2114344) has the molecular formula C18H17N3O3S and a molecular weight of 355.42 g/mol. Its IUPAC name is N-[3-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]furan-2-carboxamide
PubChem CID2114344
Molecular FormulaC18H17N3O3S
Molecular Weight355.42 g/mol
Exact Mass355.10
IUPAC NameN-[3-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]furan-2-carboxamide
SMILESCc1ccc(-c2csc(NC(=O)CCNC(=O)c3ccco3)n2)cc1
InChIInChI=1S/C18H17N3O3S/c1-12-4-6-13(7-5-12)14-11-25-18(20-14)21-16(22)8-9-19-17(23)15-3-2-10-24-15/h2-7,10-11H,8-9H2,1H3,(H,19,23)(H,20,21,22)
InChIKeyKPXCJWCLABBWLA-UHFFFAOYSA-N
XLogP3.47
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[[4-(2-methylphenyl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]furan-2-carboxamide
CID 39017008
N-[3-[[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]furan-2-carboxamide
CID 26723709
N-[3-[(4-tert-butyl-1,3-thiazol-2-yl)amino]-3-oxopropyl]furan-2-carboxamide
CID 18077952
N-[4-[2-(butanoylamino)-1,3-thiazol-4-yl]phenyl]furan-2-carboxamide
CID 17392556
N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-3-[(2-phenylacetyl)amino]propanamide
CID 55487125
N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]furan-2-carboxamide
CID 4061506
N-[3-[(6-methyl-1,3-benzothiazol-2-yl)amino]-3-oxopropyl]furan-2-carboxamide
CID 2555545
N-[4-[[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]amino]-4-oxobutyl]furan-2-carboxamide
CID 39754241
N-[4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 3602054
N-[3-[[4-[(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]-1,3-thiazol-2-yl]amino]-3-oxopropyl]furan-2-carboxamide
CID 46579420
N-[3-[[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]benzamide
CID 43000018
N-[4-(4-benzylphenyl)-1,3-thiazol-2-yl]-2-(4-methylphenyl)acetamide
CID 43951129

Frequently Asked Questions

What is the IUPAC name of N-[3-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]furan-2-carboxamide?
The IUPAC name of N-[3-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]furan-2-carboxamide (CID 2114344) is N-[3-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]furan-2-carboxamide.
What is the SMILES notation for N-[3-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]furan-2-carboxamide?
The canonical SMILES for N-[3-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]furan-2-carboxamide is Cc1ccc(-c2csc(NC(=O)CCNC(=O)c3ccco3)n2)cc1.
What is the InChIKey of N-[3-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]furan-2-carboxamide?
The InChIKey is KPXCJWCLABBWLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3S/c1-12-4-6-13(7-5-12)14-11-25-18(20-14)21-16(22)8-9-19-17(23)15-3-2-10-24-15/h2-7,10-11H,8-9H2,1H3,(H,19,23)(H,20,21,22).
What are the key properties of N-[3-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]furan-2-carboxamide?
N-[3-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]furan-2-carboxamide has a molecular weight of 355.42 g/mol, XLogP of 3.47, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]furan-2-carboxamide is sourced from PubChem (CID 2114344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).