N-[4-[2-[cyclopropyl-[(3-fluorophenyl)methyl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide

C21H20FN3O3S — CID 55761500

IUPACN-[4-[2-[cyclopropyl-[(3-fluorophenyl)methyl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide
SMILESCc1occc1C(=O)Nc1nc(CC(=O)N(Cc2cccc(F)c2)C2CC2)cs1
InChIInChI=1S/C21H20FN3O3S/c1-13-18(7-8-28-13)20(27)24-21-23-16(12-29-21)10-19(26)25(17-5-6-17)11-14-3-2-4-15(22)9-14/h2-4,7-9,12,17H,5-6,10-11H2,1H3,(H,23,24,27)
InChIKeyUOVMGHLTOAENQX-UHFFFAOYSA-N
MW413.47 g/mol
LogP4.17
Rot. Bonds7

About N-[4-[2-[cyclopropyl-[(3-fluorophenyl)methyl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide

N-[4-[2-[cyclopropyl-[(3-fluorophenyl)methyl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide (PubChem CID 55761500) has the molecular formula C21H20FN3O3S and a molecular weight of 413.47 g/mol. Its IUPAC name is N-[4-[2-[cyclopropyl-[(3-fluorophenyl)methyl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[4-[2-[cyclopropyl-[(3-fluorophenyl)methyl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide
PubChem CID55761500
Molecular FormulaC21H20FN3O3S
Molecular Weight413.47 g/mol
Exact Mass413.12
IUPAC NameN-[4-[2-[cyclopropyl-[(3-fluorophenyl)methyl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide
SMILESCc1occc1C(=O)Nc1nc(CC(=O)N(Cc2cccc(F)c2)C2CC2)cs1
InChIInChI=1S/C21H20FN3O3S/c1-13-18(7-8-28-13)20(27)24-21-23-16(12-29-21)10-19(26)25(17-5-6-17)11-14-3-2-4-15(22)9-14/h2-4,7-9,12,17H,5-6,10-11H2,1H3,(H,23,24,27)
InChIKeyUOVMGHLTOAENQX-UHFFFAOYSA-N
XLogP4.17
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.47
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[2-[(2,4-difluorophenyl)methyl-methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide
CID 55761776
2-[cyclopropyl-[2-[2-[(2-methylfuran-3-carbonyl)amino]-1,3-thiazol-4-yl]acetyl]amino]propanoic acid
CID 122067280
N-[4-[2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 27163763
N-[4-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide
CID 46488883
N-[4-[2-[[3-(cyclopentanecarbonylamino)phenyl]methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide
CID 55894433
2-methyl-N-[4-[2-[(5-methylthiophen-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]furan-3-carboxamide
CID 55757013
N-[4-[2-[(4-aminocyclohexyl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide
CID 119477021
N-[4-[2-[cyclopropyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
CID 39155108
N-[4-[2-(3-cyclopentyloxyanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide
CID 55761426
2-methyl-N-[4-[2-[3-(methylamino)piperidin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]furan-3-carboxamide
CID 119491044
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
2-methyl-N-[4-[2-oxo-2-(oxolan-3-ylmethylamino)ethyl]-1,3-thiazol-2-yl]furan-3-carboxamide
CID 47045235

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[cyclopropyl-[(3-fluorophenyl)methyl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide?
The IUPAC name of N-[4-[2-[cyclopropyl-[(3-fluorophenyl)methyl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide (CID 55761500) is N-[4-[2-[cyclopropyl-[(3-fluorophenyl)methyl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide.
What is the SMILES notation for N-[4-[2-[cyclopropyl-[(3-fluorophenyl)methyl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide?
The canonical SMILES for N-[4-[2-[cyclopropyl-[(3-fluorophenyl)methyl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide is Cc1occc1C(=O)Nc1nc(CC(=O)N(Cc2cccc(F)c2)C2CC2)cs1.
What is the InChIKey of N-[4-[2-[cyclopropyl-[(3-fluorophenyl)methyl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide?
The InChIKey is UOVMGHLTOAENQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O3S/c1-13-18(7-8-28-13)20(27)24-21-23-16(12-29-21)10-19(26)25(17-5-6-17)11-14-3-2-4-15(22)9-14/h2-4,7-9,12,17H,5-6,10-11H2,1H3,(H,23,24,27).
What are the key properties of N-[4-[2-[cyclopropyl-[(3-fluorophenyl)methyl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide?
N-[4-[2-[cyclopropyl-[(3-fluorophenyl)methyl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide has a molecular weight of 413.47 g/mol, XLogP of 4.17, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[cyclopropyl-[(3-fluorophenyl)methyl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide is sourced from PubChem (CID 55761500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).