N-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]cyclohexyl]-N-methylthiadiazole-4-carboxamide

C18H22F2N4OS — CID 53320178

IUPACN-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]cyclohexyl]-N-methylthiadiazole-4-carboxamide
SMILESCN(C(=O)c1csnn1)C1CCC([C@H](N)Cc2cc(F)ccc2F)CC1
InChIInChI=1S/C18H22F2N4OS/c1-24(18(25)17-10-26-23-22-17)14-5-2-11(3-6-14)16(21)9-12-8-13(19)4-7-15(12)20/h4,7-8,10-11,14,16H,2-3,5-6,9,21H2,1H3/t11?,14?,16-/m1/s1
InChIKeyNDODKZUMWUDXJB-HFLCMSJXSA-N
MW380.46 g/mol
LogP3.02
Rot. Bonds5

About N-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]cyclohexyl]-N-methylthiadiazole-4-carboxamide

N-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]cyclohexyl]-N-methylthiadiazole-4-carboxamide (PubChem CID 53320178) has the molecular formula C18H22F2N4OS and a molecular weight of 380.46 g/mol. Its IUPAC name is N-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]cyclohexyl]-N-methylthiadiazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]cyclohexyl]-N-methylthiadiazole-4-carboxamide
PubChem CID53320178
Molecular FormulaC18H22F2N4OS
Molecular Weight380.46 g/mol
Exact Mass380.15
IUPAC NameN-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]cyclohexyl]-N-methylthiadiazole-4-carboxamide
SMILESCN(C(=O)c1csnn1)C1CCC([C@H](N)Cc2cc(F)ccc2F)CC1
InChIInChI=1S/C18H22F2N4OS/c1-24(18(25)17-10-26-23-22-17)14-5-2-11(3-6-14)16(21)9-12-8-13(19)4-7-15(12)20/h4,7-8,10-11,14,16H,2-3,5-6,9,21H2,1H3/t11?,14?,16-/m1/s1
InChIKeyNDODKZUMWUDXJB-HFLCMSJXSA-N
XLogP3.02
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.46
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1,2,3]Thiadiazole-4-carboxylic acid [cyclopentylcarbamoyl-(2-fluoro-phenyl)-methyl]-cyclopropyl-amide
CID 3222363
N-(3,4-dimethylphenyl)-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]thiadiazole-4-carboxamide
CID 1452284
N-(4-ethylphenyl)-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]thiadiazole-4-carboxamide
CID 1452372
N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-N-(4-propan-2-ylphenyl)thiadiazole-4-carboxamide
CID 1452399
[1,2,3]Thiadiazole-4-carboxylic acid [cyclopentylcarbamoyl-(4-fluoro-phenyl)-methyl]-(3-methyl-butyl)-amide
CID 3219341
[1,2,3]Thiadiazole-4-carboxylic acid benzyl-[cyclopentylcarbamoyl-(4-fluoro-phenyl)-methyl]-amide
CID 3222171
N-[2-(cyclohexylamino)-2-oxoethyl]-N-[2-(2-methylphenyl)ethyl]thiadiazole-4-carboxamide
CID 3222295
[1,2,3]Thiadiazole-4-carboxylic acid [(4-fluoro-benzylcarbamoyl)-methyl]-(2-m-tolyl-ethyl)-amide
CID 3222305
[1,2,3]Thiadiazole-4-carboxylic acid [cyclohexylcarbamoyl-(4-isopropyl-phenyl)-methyl]-cyclopropyl-amide
CID 3222380
[1,2,3]Thiadiazole-4-carboxylic acid [cyclohexylcarbamoyl-(2-fluoro-phenyl)-methyl]-cyclopentyl-amide
CID 3222432
[1,2,3]Thiadiazole-4-carboxylic acid allyl-[benzylcarbamoyl-(2-fluoro-phenyl)-methyl]-amide
CID 3222519
(2-Benzhydryl-2,9-diazaspiro[5.5]undecan-9-yl)-(thiadiazol-4-yl)methanone
CID 3232951

Frequently Asked Questions

What is the IUPAC name of N-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]cyclohexyl]-N-methylthiadiazole-4-carboxamide?
The IUPAC name of N-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]cyclohexyl]-N-methylthiadiazole-4-carboxamide (CID 53320178) is N-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]cyclohexyl]-N-methylthiadiazole-4-carboxamide.
What is the SMILES notation for N-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]cyclohexyl]-N-methylthiadiazole-4-carboxamide?
The canonical SMILES for N-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]cyclohexyl]-N-methylthiadiazole-4-carboxamide is CN(C(=O)c1csnn1)C1CCC([C@H](N)Cc2cc(F)ccc2F)CC1.
What is the InChIKey of N-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]cyclohexyl]-N-methylthiadiazole-4-carboxamide?
The InChIKey is NDODKZUMWUDXJB-HFLCMSJXSA-N. The full InChI is InChI=1S/C18H22F2N4OS/c1-24(18(25)17-10-26-23-22-17)14-5-2-11(3-6-14)16(21)9-12-8-13(19)4-7-15(12)20/h4,7-8,10-11,14,16H,2-3,5-6,9,21H2,1H3/t11?,14?,16-/m1/s1.
What are the key properties of N-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]cyclohexyl]-N-methylthiadiazole-4-carboxamide?
N-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]cyclohexyl]-N-methylthiadiazole-4-carboxamide has a molecular weight of 380.46 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]cyclohexyl]-N-methylthiadiazole-4-carboxamide is sourced from PubChem (CID 53320178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).