N-[1-[[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl]furan-3-carboxamide

C18H16FN3O3S — CID 55823503

IUPACN-[1-[[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl]furan-3-carboxamide
SMILESCc1sc(NC(=O)C(C)NC(=O)c2ccoc2)nc1-c1ccc(F)cc1
InChIInChI=1S/C18H16FN3O3S/c1-10(20-17(24)13-7-8-25-9-13)16(23)22-18-21-15(11(2)26-18)12-3-5-14(19)6-4-12/h3-10H,1-2H3,(H,20,24)(H,21,22,23)
InChIKeyIAUNNDKSGIJPPE-UHFFFAOYSA-N
MW373.41 g/mol
LogP3.61
Rot. Bonds5

About N-[1-[[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl]furan-3-carboxamide

N-[1-[[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl]furan-3-carboxamide (PubChem CID 55823503) has the molecular formula C18H16FN3O3S and a molecular weight of 373.41 g/mol. Its IUPAC name is N-[1-[[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl]furan-3-carboxamide.

Molecular Properties

Compound NameN-[1-[[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl]furan-3-carboxamide
PubChem CID55823503
Molecular FormulaC18H16FN3O3S
Molecular Weight373.41 g/mol
Exact Mass373.09
IUPAC NameN-[1-[[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl]furan-3-carboxamide
SMILESCc1sc(NC(=O)C(C)NC(=O)c2ccoc2)nc1-c1ccc(F)cc1
InChIInChI=1S/C18H16FN3O3S/c1-10(20-17(24)13-7-8-25-9-13)16(23)22-18-21-15(11(2)26-18)12-3-5-14(19)6-4-12/h3-10H,1-2H3,(H,20,24)(H,21,22,23)
InChIKeyIAUNNDKSGIJPPE-UHFFFAOYSA-N
XLogP3.61
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]furan-3-carboxamide
CID 18102185
N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119681461
4-fluoro-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide
CID 880470
N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-4-propan-2-ylbenzamide
CID 1406576
N-[1-[[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl]furan-2-carboxamide
CID 112768087
N-[(2R)-1-[(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)amino]-1-oxopropan-2-yl]furan-3-carboxamide
CID 51963928
N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]furan-2-carboxamide
CID 954460
(2S)-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-phenoxypropanamide
CID 9094325
2-amino-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]pentanamide
CID 119266990
4-fluoro-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)benzamide
CID 2304857
2-amino-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-methylpropanamide
CID 119266982
N-[(2S)-1-[[(1S)-1-(2,5-dimethylthiophen-3-yl)ethyl]amino]-1-oxopropan-2-yl]furan-3-carboxamide
CID 94032663

Frequently Asked Questions

What is the IUPAC name of N-[1-[[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl]furan-3-carboxamide?
The IUPAC name of N-[1-[[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl]furan-3-carboxamide (CID 55823503) is N-[1-[[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl]furan-3-carboxamide.
What is the SMILES notation for N-[1-[[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl]furan-3-carboxamide?
The canonical SMILES for N-[1-[[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl]furan-3-carboxamide is Cc1sc(NC(=O)C(C)NC(=O)c2ccoc2)nc1-c1ccc(F)cc1.
What is the InChIKey of N-[1-[[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl]furan-3-carboxamide?
The InChIKey is IAUNNDKSGIJPPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O3S/c1-10(20-17(24)13-7-8-25-9-13)16(23)22-18-21-15(11(2)26-18)12-3-5-14(19)6-4-12/h3-10H,1-2H3,(H,20,24)(H,21,22,23).
What are the key properties of N-[1-[[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl]furan-3-carboxamide?
N-[1-[[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl]furan-3-carboxamide has a molecular weight of 373.41 g/mol, XLogP of 3.61, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl]furan-3-carboxamide is sourced from PubChem (CID 55823503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).