N-[(1R)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-1-(4-fluorophenyl)-N-methylcyclopropane-1-carboxamide

C18H21FN2OS — CID 97112213

IUPACN-[(1R)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-1-(4-fluorophenyl)-N-methylcyclopropane-1-carboxamide
SMILESCc1nc([C@@H](C)N(C)C(=O)C2(c3ccc(F)cc3)CC2)c(C)s1
InChIInChI=1S/C18H21FN2OS/c1-11(16-12(2)23-13(3)20-16)21(4)17(22)18(9-10-18)14-5-7-15(19)8-6-14/h5-8,11H,9-10H2,1-4H3/t11-/m1/s1
InChIKeyMNECLMFJTOWTBY-LLVKDONJSA-N
MW332.44 g/mol
LogP4.15
Rot. Bonds4

About N-[(1R)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-1-(4-fluorophenyl)-N-methylcyclopropane-1-carboxamide

N-[(1R)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-1-(4-fluorophenyl)-N-methylcyclopropane-1-carboxamide (PubChem CID 97112213) has the molecular formula C18H21FN2OS and a molecular weight of 332.44 g/mol. Its IUPAC name is N-[(1R)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-1-(4-fluorophenyl)-N-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-1-(4-fluorophenyl)-N-methylcyclopropane-1-carboxamide
PubChem CID97112213
Molecular FormulaC18H21FN2OS
Molecular Weight332.44 g/mol
Exact Mass332.14
IUPAC NameN-[(1R)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-1-(4-fluorophenyl)-N-methylcyclopropane-1-carboxamide
SMILESCc1nc([C@@H](C)N(C)C(=O)C2(c3ccc(F)cc3)CC2)c(C)s1
InChIInChI=1S/C18H21FN2OS/c1-11(16-12(2)23-13(3)20-16)21(4)17(22)18(9-10-18)14-5-7-15(19)8-6-14/h5-8,11H,9-10H2,1-4H3/t11-/m1/s1
InChIKeyMNECLMFJTOWTBY-LLVKDONJSA-N
XLogP4.15
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-[(1R)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-6-fluoro-N,3-dimethylbenzamide
CID 97155572
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CID 96575331
N-[(1S)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-8-fluoro-N-methylquinoline-2-carboxamide
CID 97118670
N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-8-fluoro-N-methylquinoline-2-carboxamide
CID 70722846
N'-[(1R)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N'-methyl-N-(4-methyl-1,3-thiazol-2-yl)oxamide
CID 95209343
N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N-methyl-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 70716880
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CID 126425178
1-(4-fluorophenyl)-N-methyl-N-(2-methylpropyl)cyclobutane-1-carboxamide
CID 134005949
ethyl 2-[ethyl-[1-(4-fluorophenyl)cyclopropanecarbonyl]amino]acetate
CID 61013046
N-[(1S)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N-methyl-3,4-dihydro-2H-chromene-6-carboxamide
CID 97125096
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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-1-(4-fluorophenyl)-N-methylcyclopropane-1-carboxamide?
The IUPAC name of N-[(1R)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-1-(4-fluorophenyl)-N-methylcyclopropane-1-carboxamide (CID 97112213) is N-[(1R)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-1-(4-fluorophenyl)-N-methylcyclopropane-1-carboxamide.
What is the SMILES notation for N-[(1R)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-1-(4-fluorophenyl)-N-methylcyclopropane-1-carboxamide?
The canonical SMILES for N-[(1R)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-1-(4-fluorophenyl)-N-methylcyclopropane-1-carboxamide is Cc1nc([C@@H](C)N(C)C(=O)C2(c3ccc(F)cc3)CC2)c(C)s1.
What is the InChIKey of N-[(1R)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-1-(4-fluorophenyl)-N-methylcyclopropane-1-carboxamide?
The InChIKey is MNECLMFJTOWTBY-LLVKDONJSA-N. The full InChI is InChI=1S/C18H21FN2OS/c1-11(16-12(2)23-13(3)20-16)21(4)17(22)18(9-10-18)14-5-7-15(19)8-6-14/h5-8,11H,9-10H2,1-4H3/t11-/m1/s1.
What are the key properties of N-[(1R)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-1-(4-fluorophenyl)-N-methylcyclopropane-1-carboxamide?
N-[(1R)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-1-(4-fluorophenyl)-N-methylcyclopropane-1-carboxamide has a molecular weight of 332.44 g/mol, XLogP of 4.15, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-1-(4-fluorophenyl)-N-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 97112213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).