4-cyclopropyl-N-[1-(3,4-difluorophenyl)ethyl]-N-methyl-1,3-thiazole-5-carboxamide

C16H16F2N2OS — CID 126774160

IUPAC4-cyclopropyl-N-[1-(3,4-difluorophenyl)ethyl]-N-methyl-1,3-thiazole-5-carboxamide
SMILESCC(c1ccc(F)c(F)c1)N(C)C(=O)c1scnc1C1CC1
InChIInChI=1S/C16H16F2N2OS/c1-9(11-5-6-12(17)13(18)7-11)20(2)16(21)15-14(10-3-4-10)19-8-22-15/h5-10H,3-4H2,1-2H3
InChIKeyCZFCIESMVONMKK-UHFFFAOYSA-N
MW322.38 g/mol
LogP4.13
Rot. Bonds4

About 4-cyclopropyl-N-[1-(3,4-difluorophenyl)ethyl]-N-methyl-1,3-thiazole-5-carboxamide

4-cyclopropyl-N-[1-(3,4-difluorophenyl)ethyl]-N-methyl-1,3-thiazole-5-carboxamide (PubChem CID 126774160) has the molecular formula C16H16F2N2OS and a molecular weight of 322.38 g/mol. Its IUPAC name is 4-cyclopropyl-N-[1-(3,4-difluorophenyl)ethyl]-N-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-cyclopropyl-N-[1-(3,4-difluorophenyl)ethyl]-N-methyl-1,3-thiazole-5-carboxamide
PubChem CID126774160
Molecular FormulaC16H16F2N2OS
Molecular Weight322.38 g/mol
Exact Mass322.10
IUPAC Name4-cyclopropyl-N-[1-(3,4-difluorophenyl)ethyl]-N-methyl-1,3-thiazole-5-carboxamide
SMILESCC(c1ccc(F)c(F)c1)N(C)C(=O)c1scnc1C1CC1
InChIInChI=1S/C16H16F2N2OS/c1-9(11-5-6-12(17)13(18)7-11)20(2)16(21)15-14(10-3-4-10)19-8-22-15/h5-10H,3-4H2,1-2H3
InChIKeyCZFCIESMVONMKK-UHFFFAOYSA-N
XLogP4.13
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.38
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(3,4-difluorophenyl)ethyl]-3,5-dimethoxy-N-methylbenzamide
CID 46513201
5-chloro-N-[1-(3,4-difluorophenyl)ethyl]-N-methyl-1,3,4-thiadiazole-2-carboxamide
CID 80625425
5-[[(1R)-1-(3,4-difluorophenyl)ethyl]-methylcarbamoyl]furan-2-carboxylic acid
CID 99851696
5-[[(1S)-1-(3,4-difluorophenyl)ethyl]-methylcarbamoyl]furan-2-carboxylic acid
CID 99851695
2-amino-N-[1-(3,4-difluorophenyl)ethyl]-N-methylbenzamide
CID 60952393
6-bromo-N-[1-(3,4-difluorophenyl)ethyl]-N-methylpyridine-2-carboxamide
CID 103874208
N-[(1R)-1-(3,4-difluorophenyl)ethyl]-N-methylquinoxaline-2-carboxamide
CID 31351364
N-[1-(3,4-difluorophenyl)ethyl]-2,2,2-trifluoro-N-methylacetamide
CID 62732806
methyl 5-[1-(3,4-difluorophenyl)ethyl-methylcarbamoyl]thiophene-2-carboxylate
CID 134050445
2-amino-N-[1-(3,4-difluorophenyl)ethyl]-N-methylcyclopentane-1-carboxamide
CID 64824759
4-amino-N-[1-(3,4-difluorophenyl)ethyl]-N,2-dimethylbutanamide
CID 80542917
2-chloro-N-[1-(3,4-difluorophenyl)ethyl]-N-methylquinoline-6-carboxamide
CID 55731326

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-N-[1-(3,4-difluorophenyl)ethyl]-N-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-cyclopropyl-N-[1-(3,4-difluorophenyl)ethyl]-N-methyl-1,3-thiazole-5-carboxamide (CID 126774160) is 4-cyclopropyl-N-[1-(3,4-difluorophenyl)ethyl]-N-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-cyclopropyl-N-[1-(3,4-difluorophenyl)ethyl]-N-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-cyclopropyl-N-[1-(3,4-difluorophenyl)ethyl]-N-methyl-1,3-thiazole-5-carboxamide is CC(c1ccc(F)c(F)c1)N(C)C(=O)c1scnc1C1CC1.
What is the InChIKey of 4-cyclopropyl-N-[1-(3,4-difluorophenyl)ethyl]-N-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is CZFCIESMVONMKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2N2OS/c1-9(11-5-6-12(17)13(18)7-11)20(2)16(21)15-14(10-3-4-10)19-8-22-15/h5-10H,3-4H2,1-2H3.
What are the key properties of 4-cyclopropyl-N-[1-(3,4-difluorophenyl)ethyl]-N-methyl-1,3-thiazole-5-carboxamide?
4-cyclopropyl-N-[1-(3,4-difluorophenyl)ethyl]-N-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 322.38 g/mol, XLogP of 4.13, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-N-[1-(3,4-difluorophenyl)ethyl]-N-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 126774160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).