(2S)-N-[4-[4-(difluoromethoxy)phenyl]-5-methyl-1,3-thiazol-2-yl]-2-imidazol-1-ylpropanamide

C17H16F2N4O2S — CID 51959491

IUPAC(2S)-N-[4-[4-(difluoromethoxy)phenyl]-5-methyl-1,3-thiazol-2-yl]-2-imidazol-1-ylpropanamide
SMILESCc1sc(NC(=O)[C@H](C)n2ccnc2)nc1-c1ccc(OC(F)F)cc1
InChIInChI=1S/C17H16F2N4O2S/c1-10(23-8-7-20-9-23)15(24)22-17-21-14(11(2)26-17)12-3-5-13(6-4-12)25-16(18)19/h3-10,16H,1-2H3,(H,21,22,24)/t10-/m0/s1
InChIKeyHIXMWIPDITUFOD-JTQLQIEISA-N
MW378.40 g/mol
LogP4.12
Rot. Bonds6

About (2S)-N-[4-[4-(difluoromethoxy)phenyl]-5-methyl-1,3-thiazol-2-yl]-2-imidazol-1-ylpropanamide

(2S)-N-[4-[4-(difluoromethoxy)phenyl]-5-methyl-1,3-thiazol-2-yl]-2-imidazol-1-ylpropanamide (PubChem CID 51959491) has the molecular formula C17H16F2N4O2S and a molecular weight of 378.40 g/mol. Its IUPAC name is (2S)-N-[4-[4-(difluoromethoxy)phenyl]-5-methyl-1,3-thiazol-2-yl]-2-imidazol-1-ylpropanamide.

Molecular Properties

Compound Name(2S)-N-[4-[4-(difluoromethoxy)phenyl]-5-methyl-1,3-thiazol-2-yl]-2-imidazol-1-ylpropanamide
PubChem CID51959491
Molecular FormulaC17H16F2N4O2S
Molecular Weight378.40 g/mol
Exact Mass378.10
IUPAC Name(2S)-N-[4-[4-(difluoromethoxy)phenyl]-5-methyl-1,3-thiazol-2-yl]-2-imidazol-1-ylpropanamide
SMILESCc1sc(NC(=O)[C@H](C)n2ccnc2)nc1-c1ccc(OC(F)F)cc1
InChIInChI=1S/C17H16F2N4O2S/c1-10(23-8-7-20-9-23)15(24)22-17-21-14(11(2)26-17)12-3-5-13(6-4-12)25-16(18)19/h3-10,16H,1-2H3,(H,21,22,24)/t10-/m0/s1
InChIKeyHIXMWIPDITUFOD-JTQLQIEISA-N
XLogP4.12
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.40
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[4-(difluoromethoxy)phenyl]-5-methyl-1,3-thiazol-2-yl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119693581
N-[4-[4-(difluoromethoxy)phenyl]-5-methyl-1,3-thiazol-2-yl]-2-(methylamino)acetamide
CID 119693574
N-[4-[4-(difluoromethoxy)phenyl]-5-methyl-1,3-thiazol-2-yl]-2-propan-2-ylpyrazole-3-carboxamide
CID 75468978
N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-methylpropanamide
CID 4615365
(2S)-N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-2-imidazol-1-ylpropanamide
CID 95293239
(E)-3-[4-(difluoromethoxy)phenyl]-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]prop-2-enamide
CID 18205332
4-amino-N-[4-[4-(difluoromethoxy)phenyl]-5-methyl-1,3-thiazol-2-yl]-3-methoxybutanamide
CID 120587389
N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-phenoxypropanamide
CID 4812491
(2R)-2-amino-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]propanamide
CID 119264683
N-[4-[4-(difluoromethoxy)phenyl]-5-methyl-1,3-thiazol-2-yl]-2,5-dimethoxybenzamide
CID 35540458
(2S)-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-phenoxypropanamide
CID 9094325
2-(1,3-dioxoisoindol-2-yl)-N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]propanamide
CID 19228287

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[4-[4-(difluoromethoxy)phenyl]-5-methyl-1,3-thiazol-2-yl]-2-imidazol-1-ylpropanamide?
The IUPAC name of (2S)-N-[4-[4-(difluoromethoxy)phenyl]-5-methyl-1,3-thiazol-2-yl]-2-imidazol-1-ylpropanamide (CID 51959491) is (2S)-N-[4-[4-(difluoromethoxy)phenyl]-5-methyl-1,3-thiazol-2-yl]-2-imidazol-1-ylpropanamide.
What is the SMILES notation for (2S)-N-[4-[4-(difluoromethoxy)phenyl]-5-methyl-1,3-thiazol-2-yl]-2-imidazol-1-ylpropanamide?
The canonical SMILES for (2S)-N-[4-[4-(difluoromethoxy)phenyl]-5-methyl-1,3-thiazol-2-yl]-2-imidazol-1-ylpropanamide is Cc1sc(NC(=O)[C@H](C)n2ccnc2)nc1-c1ccc(OC(F)F)cc1.
What is the InChIKey of (2S)-N-[4-[4-(difluoromethoxy)phenyl]-5-methyl-1,3-thiazol-2-yl]-2-imidazol-1-ylpropanamide?
The InChIKey is HIXMWIPDITUFOD-JTQLQIEISA-N. The full InChI is InChI=1S/C17H16F2N4O2S/c1-10(23-8-7-20-9-23)15(24)22-17-21-14(11(2)26-17)12-3-5-13(6-4-12)25-16(18)19/h3-10,16H,1-2H3,(H,21,22,24)/t10-/m0/s1.
What are the key properties of (2S)-N-[4-[4-(difluoromethoxy)phenyl]-5-methyl-1,3-thiazol-2-yl]-2-imidazol-1-ylpropanamide?
(2S)-N-[4-[4-(difluoromethoxy)phenyl]-5-methyl-1,3-thiazol-2-yl]-2-imidazol-1-ylpropanamide has a molecular weight of 378.40 g/mol, XLogP of 4.12, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[4-[4-(difluoromethoxy)phenyl]-5-methyl-1,3-thiazol-2-yl]-2-imidazol-1-ylpropanamide is sourced from PubChem (CID 51959491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).