(3S)-N-[5-[(3,5-difluorophenyl)methyl]-1,3-thiazol-2-yl]-3-methyloxolane-3-carboxamide

C16H16F2N2O2S — CID 167327040

IUPAC(3S)-N-[5-[(3,5-difluorophenyl)methyl]-1,3-thiazol-2-yl]-3-methyloxolane-3-carboxamide
SMILESC[C@]1(C(=O)Nc2ncc(Cc3cc(F)cc(F)c3)s2)CCOC1
InChIInChI=1S/C16H16F2N2O2S/c1-16(2-3-22-9-16)14(21)20-15-19-8-13(23-15)6-10-4-11(17)7-12(18)5-10/h4-5,7-8H,2-3,6,9H2,1H3,(H,19,20,21)/t16-/m0/s1
InChIKeyHBAKAIKYNHMKKD-INIZCTEOSA-N
MW338.38 g/mol
LogP3.38
Rot. Bonds4

About (3S)-N-[5-[(3,5-difluorophenyl)methyl]-1,3-thiazol-2-yl]-3-methyloxolane-3-carboxamide

(3S)-N-[5-[(3,5-difluorophenyl)methyl]-1,3-thiazol-2-yl]-3-methyloxolane-3-carboxamide (PubChem CID 167327040) has the molecular formula C16H16F2N2O2S and a molecular weight of 338.38 g/mol. Its IUPAC name is (3S)-N-[5-[(3,5-difluorophenyl)methyl]-1,3-thiazol-2-yl]-3-methyloxolane-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[5-[(3,5-difluorophenyl)methyl]-1,3-thiazol-2-yl]-3-methyloxolane-3-carboxamide
PubChem CID167327040
Molecular FormulaC16H16F2N2O2S
Molecular Weight338.38 g/mol
Exact Mass338.09
IUPAC Name(3S)-N-[5-[(3,5-difluorophenyl)methyl]-1,3-thiazol-2-yl]-3-methyloxolane-3-carboxamide
SMILESC[C@]1(C(=O)Nc2ncc(Cc3cc(F)cc(F)c3)s2)CCOC1
InChIInChI=1S/C16H16F2N2O2S/c1-16(2-3-22-9-16)14(21)20-15-19-8-13(23-15)6-10-4-11(17)7-12(18)5-10/h4-5,7-8H,2-3,6,9H2,1H3,(H,19,20,21)/t16-/m0/s1
InChIKeyHBAKAIKYNHMKKD-INIZCTEOSA-N
XLogP3.38
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.38
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-[(2,5-difluorophenyl)methyl]-1,3-thiazol-2-yl]-3-methyloxetane-3-carboxamide
CID 167327143
N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-1-(trifluoromethyl)cyclopropane-1-carboxamide
CID 167327072
N-[5-[(3,5-difluorophenyl)methyl]-1,3-thiazol-2-yl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 139521766
1-fluoro-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]cyclopropane-1-carboxamide
CID 167862447
2-(3,3-dimethyl-2-oxa-8-azaspiro[4.5]decan-8-yl)-N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]acetamide
CID 110167471
methyl 3-[[2-[[4-(aminomethyl)oxane-4-carbonyl]amino]-1,3-thiazol-5-yl]methyl]benzoate;hydrochloride
CID 120930120
1-[5-[(3-fluoro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-3-[(4-methoxyoxan-4-yl)methyl]urea
CID 99819299
N-[5-[(3,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120619810
(2R)-N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]oxolane-2-carboxamide
CID 675301
N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-methyl-1-oxo-4H-isochromene-3-carboxamide
CID 4222573
N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-15-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide
CID 23596203
4-cyano-N-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]oxane-4-carboxamide
CID 167327128

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[5-[(3,5-difluorophenyl)methyl]-1,3-thiazol-2-yl]-3-methyloxolane-3-carboxamide?
The IUPAC name of (3S)-N-[5-[(3,5-difluorophenyl)methyl]-1,3-thiazol-2-yl]-3-methyloxolane-3-carboxamide (CID 167327040) is (3S)-N-[5-[(3,5-difluorophenyl)methyl]-1,3-thiazol-2-yl]-3-methyloxolane-3-carboxamide.
What is the SMILES notation for (3S)-N-[5-[(3,5-difluorophenyl)methyl]-1,3-thiazol-2-yl]-3-methyloxolane-3-carboxamide?
The canonical SMILES for (3S)-N-[5-[(3,5-difluorophenyl)methyl]-1,3-thiazol-2-yl]-3-methyloxolane-3-carboxamide is C[C@]1(C(=O)Nc2ncc(Cc3cc(F)cc(F)c3)s2)CCOC1.
What is the InChIKey of (3S)-N-[5-[(3,5-difluorophenyl)methyl]-1,3-thiazol-2-yl]-3-methyloxolane-3-carboxamide?
The InChIKey is HBAKAIKYNHMKKD-INIZCTEOSA-N. The full InChI is InChI=1S/C16H16F2N2O2S/c1-16(2-3-22-9-16)14(21)20-15-19-8-13(23-15)6-10-4-11(17)7-12(18)5-10/h4-5,7-8H,2-3,6,9H2,1H3,(H,19,20,21)/t16-/m0/s1.
What are the key properties of (3S)-N-[5-[(3,5-difluorophenyl)methyl]-1,3-thiazol-2-yl]-3-methyloxolane-3-carboxamide?
(3S)-N-[5-[(3,5-difluorophenyl)methyl]-1,3-thiazol-2-yl]-3-methyloxolane-3-carboxamide has a molecular weight of 338.38 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[5-[(3,5-difluorophenyl)methyl]-1,3-thiazol-2-yl]-3-methyloxolane-3-carboxamide is sourced from PubChem (CID 167327040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).