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

C15H19N3O3S — CID 18077952

IUPACN-[3-[(4-tert-butyl-1,3-thiazol-2-yl)amino]-3-oxopropyl]furan-2-carboxamide
SMILESCC(C)(C)c1csc(NC(=O)CCNC(=O)c2ccco2)n1
InChIInChI=1S/C15H19N3O3S/c1-15(2,3)11-9-22-14(17-11)18-12(19)6-7-16-13(20)10-5-4-8-21-10/h4-5,8-9H,6-7H2,1-3H3,(H,16,20)(H,17,18,19)
InChIKeyXZOWCYFERKIZAT-UHFFFAOYSA-N
MW321.40 g/mol
LogP2.79
Rot. Bonds5

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

N-[3-[(4-tert-butyl-1,3-thiazol-2-yl)amino]-3-oxopropyl]furan-2-carboxamide (PubChem CID 18077952) has the molecular formula C15H19N3O3S and a molecular weight of 321.40 g/mol. Its IUPAC name is N-[3-[(4-tert-butyl-1,3-thiazol-2-yl)amino]-3-oxopropyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-[(4-tert-butyl-1,3-thiazol-2-yl)amino]-3-oxopropyl]furan-2-carboxamide
PubChem CID18077952
Molecular FormulaC15H19N3O3S
Molecular Weight321.40 g/mol
Exact Mass321.11
IUPAC NameN-[3-[(4-tert-butyl-1,3-thiazol-2-yl)amino]-3-oxopropyl]furan-2-carboxamide
SMILESCC(C)(C)c1csc(NC(=O)CCNC(=O)c2ccco2)n1
InChIInChI=1S/C15H19N3O3S/c1-15(2,3)11-9-22-14(17-11)18-12(19)6-7-16-13(20)10-5-4-8-21-10/h4-5,8-9H,6-7H2,1-3H3,(H,16,20)(H,17,18,19)
InChIKeyXZOWCYFERKIZAT-UHFFFAOYSA-N
XLogP2.79
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]furan-2-carboxamide
CID 26723709
N-(4-tert-butyl-1,3-thiazol-2-yl)-4-phenylbutanamide
CID 1223668
N-[3-[(6-methyl-1,3-benzothiazol-2-yl)amino]-3-oxopropyl]furan-2-carboxamide
CID 2555545
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
4-[(4-tert-butyl-1,3-thiazol-2-yl)amino]-4-oxobutanoic acid
CID 6465782
N-(4-tert-butyl-1,3-thiazol-2-yl)-3-chloropropanamide
CID 60650220
N-[4-[[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]amino]-4-oxobutyl]furan-2-carboxamide
CID 39754241
3-(3-aminophenyl)-N-(4-tert-butyl-1,3-thiazol-2-yl)propanamide
CID 80695377
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-[4-[2-oxo-2-(propylamino)ethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 17472757

Frequently Asked Questions

What is the IUPAC name of N-[3-[(4-tert-butyl-1,3-thiazol-2-yl)amino]-3-oxopropyl]furan-2-carboxamide?
The IUPAC name of N-[3-[(4-tert-butyl-1,3-thiazol-2-yl)amino]-3-oxopropyl]furan-2-carboxamide (CID 18077952) is N-[3-[(4-tert-butyl-1,3-thiazol-2-yl)amino]-3-oxopropyl]furan-2-carboxamide.
What is the SMILES notation for N-[3-[(4-tert-butyl-1,3-thiazol-2-yl)amino]-3-oxopropyl]furan-2-carboxamide?
The canonical SMILES for N-[3-[(4-tert-butyl-1,3-thiazol-2-yl)amino]-3-oxopropyl]furan-2-carboxamide is CC(C)(C)c1csc(NC(=O)CCNC(=O)c2ccco2)n1.
What is the InChIKey of N-[3-[(4-tert-butyl-1,3-thiazol-2-yl)amino]-3-oxopropyl]furan-2-carboxamide?
The InChIKey is XZOWCYFERKIZAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3S/c1-15(2,3)11-9-22-14(17-11)18-12(19)6-7-16-13(20)10-5-4-8-21-10/h4-5,8-9H,6-7H2,1-3H3,(H,16,20)(H,17,18,19).
What are the key properties of N-[3-[(4-tert-butyl-1,3-thiazol-2-yl)amino]-3-oxopropyl]furan-2-carboxamide?
N-[3-[(4-tert-butyl-1,3-thiazol-2-yl)amino]-3-oxopropyl]furan-2-carboxamide has a molecular weight of 321.40 g/mol, XLogP of 2.79, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4-tert-butyl-1,3-thiazol-2-yl)amino]-3-oxopropyl]furan-2-carboxamide is sourced from PubChem (CID 18077952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).