N-[4-[2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide

C19H17F2N3O3S — CID 51955538

IUPACN-[4-[2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide
SMILESCc1occc1C(=O)Nc1nc(CC(=O)N[C@H](C)c2ccc(F)c(F)c2)cs1
InChIInChI=1S/C19H17F2N3O3S/c1-10(12-3-4-15(20)16(21)7-12)22-17(25)8-13-9-28-19(23-13)24-18(26)14-5-6-27-11(14)2/h3-7,9-10H,8H2,1-2H3,(H,22,25)(H,23,24,26)/t10-/m1/s1
InChIKeyIJDKWDSZHYCXKK-SNVBAGLBSA-N
MW405.43 g/mol
LogP3.99
Rot. Bonds6

About N-[4-[2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide

N-[4-[2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide (PubChem CID 51955538) has the molecular formula C19H17F2N3O3S and a molecular weight of 405.43 g/mol. Its IUPAC name is N-[4-[2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[4-[2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide
PubChem CID51955538
Molecular FormulaC19H17F2N3O3S
Molecular Weight405.43 g/mol
Exact Mass405.10
IUPAC NameN-[4-[2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide
SMILESCc1occc1C(=O)Nc1nc(CC(=O)N[C@H](C)c2ccc(F)c(F)c2)cs1
InChIInChI=1S/C19H17F2N3O3S/c1-10(12-3-4-15(20)16(21)7-12)22-17(25)8-13-9-28-19(23-13)24-18(26)14-5-6-27-11(14)2/h3-7,9-10H,8H2,1-2H3,(H,22,25)(H,23,24,26)/t10-/m1/s1
InChIKeyIJDKWDSZHYCXKK-SNVBAGLBSA-N
XLogP3.99
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.43
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[2-[[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide
CID 51955751
N-[4-[2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 40917855
N-[4-[2-[1-(3-chlorophenyl)propylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide
CID 55761215
N-[4-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide
CID 46488883
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-[1-(oxolan-3-yl)ethylamino]ethyl]-1,3-thiazol-2-yl]furan-3-carboxamide
CID 119042005
N-[4-[2-[2-(4-chloro-2-methoxybenzoyl)hydrazinyl]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide
CID 55792061
2-methyl-N-[4-[2-[3-(methylamino)propylamino]-2-oxoethyl]-1,3-thiazol-2-yl]furan-3-carboxamide;dihydrochloride
CID 119432117
N-[4-[2-[[(2S)-1-methoxy-3-phenylpropan-2-yl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide
CID 95786320
N-[4-[2-[(1-amino-2,4-dimethylpentan-2-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide;dihydrochloride
CID 119599066
N-[4-[2-(3,4-dimethoxyanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide
CID 46488414
N-[4-[2-[(2,4-difluorophenyl)methyl-methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide
CID 55761776

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide?
The IUPAC name of N-[4-[2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide (CID 51955538) is N-[4-[2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide.
What is the SMILES notation for N-[4-[2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide?
The canonical SMILES for N-[4-[2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide is Cc1occc1C(=O)Nc1nc(CC(=O)N[C@H](C)c2ccc(F)c(F)c2)cs1.
What is the InChIKey of N-[4-[2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide?
The InChIKey is IJDKWDSZHYCXKK-SNVBAGLBSA-N. The full InChI is InChI=1S/C19H17F2N3O3S/c1-10(12-3-4-15(20)16(21)7-12)22-17(25)8-13-9-28-19(23-13)24-18(26)14-5-6-27-11(14)2/h3-7,9-10H,8H2,1-2H3,(H,22,25)(H,23,24,26)/t10-/m1/s1.
What are the key properties of N-[4-[2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide?
N-[4-[2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide has a molecular weight of 405.43 g/mol, XLogP of 3.99, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide is sourced from PubChem (CID 51955538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).