N-[2-(cyclohexylamino)-2-oxoethyl]-N-(2-fluorophenyl)thiadiazole-4-carboxamide

C17H19FN4O2S — CID 24793359

IUPACN-[2-(cyclohexylamino)-2-oxoethyl]-N-(2-fluorophenyl)thiadiazole-4-carboxamide
SMILESO=C(CN(C(=O)c1csnn1)c1ccccc1F)NC1CCCCC1
InChIInChI=1S/C17H19FN4O2S/c18-13-8-4-5-9-15(13)22(17(24)14-11-25-21-20-14)10-16(23)19-12-6-2-1-3-7-12/h4-5,8-9,11-12H,1-3,6-7,10H2,(H,19,23)
InChIKeyJYTVSNNRLYUPOF-UHFFFAOYSA-N
MW362.43 g/mol
LogP2.77
Rot. Bonds5

About N-[2-(cyclohexylamino)-2-oxoethyl]-N-(2-fluorophenyl)thiadiazole-4-carboxamide

N-[2-(cyclohexylamino)-2-oxoethyl]-N-(2-fluorophenyl)thiadiazole-4-carboxamide (PubChem CID 24793359) has the molecular formula C17H19FN4O2S and a molecular weight of 362.43 g/mol. Its IUPAC name is N-[2-(cyclohexylamino)-2-oxoethyl]-N-(2-fluorophenyl)thiadiazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclohexylamino)-2-oxoethyl]-N-(2-fluorophenyl)thiadiazole-4-carboxamide
PubChem CID24793359
Molecular FormulaC17H19FN4O2S
Molecular Weight362.43 g/mol
Exact Mass362.12
IUPAC NameN-[2-(cyclohexylamino)-2-oxoethyl]-N-(2-fluorophenyl)thiadiazole-4-carboxamide
SMILESO=C(CN(C(=O)c1csnn1)c1ccccc1F)NC1CCCCC1
InChIInChI=1S/C17H19FN4O2S/c18-13-8-4-5-9-15(13)22(17(24)14-11-25-21-20-14)10-16(23)19-12-6-2-1-3-7-12/h4-5,8-9,11-12H,1-3,6-7,10H2,(H,19,23)
InChIKeyJYTVSNNRLYUPOF-UHFFFAOYSA-N
XLogP2.77
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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 (3-chloro-phenyl)-cyclopentylcarbamoylmethyl-amide
CID 1467648
[1,2,3]Thiadiazole-4-carboxylic acid [cyclopentylcarbamoyl-(4-fluoro-phenyl)-methyl]-phenyl-amide
CID 3219165
N-[2-(cyclopentylamino)-2-oxoethyl]-N-(2-methylphenyl)thiadiazole-4-carboxamide
CID 3219191
N-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]-N-(2-phenylphenyl)thiadiazole-4-carboxamide
CID 3222136
[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-(2-fluoro-phenyl)-methyl]-cyclopentyl-amide
CID 3222432
[1,2,3]Thiadiazole-4-carboxylic acid allyl-[benzylcarbamoyl-(2-fluoro-phenyl)-methyl]-amide
CID 3222519
(5R)-N-(3-fluorophenyl)-9-(thiadiazole-4-carbonyl)-2,9-diazaspiro[4.5]decane-2-carboxamide
CID 3234870
[1,2,3]Thiadiazole-4-carboxylic acid (phenethylcarbamoyl-methyl)-p-tolyl-amide
CID 24792289

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexylamino)-2-oxoethyl]-N-(2-fluorophenyl)thiadiazole-4-carboxamide?
The IUPAC name of N-[2-(cyclohexylamino)-2-oxoethyl]-N-(2-fluorophenyl)thiadiazole-4-carboxamide (CID 24793359) is N-[2-(cyclohexylamino)-2-oxoethyl]-N-(2-fluorophenyl)thiadiazole-4-carboxamide.
What is the SMILES notation for N-[2-(cyclohexylamino)-2-oxoethyl]-N-(2-fluorophenyl)thiadiazole-4-carboxamide?
The canonical SMILES for N-[2-(cyclohexylamino)-2-oxoethyl]-N-(2-fluorophenyl)thiadiazole-4-carboxamide is O=C(CN(C(=O)c1csnn1)c1ccccc1F)NC1CCCCC1.
What is the InChIKey of N-[2-(cyclohexylamino)-2-oxoethyl]-N-(2-fluorophenyl)thiadiazole-4-carboxamide?
The InChIKey is JYTVSNNRLYUPOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN4O2S/c18-13-8-4-5-9-15(13)22(17(24)14-11-25-21-20-14)10-16(23)19-12-6-2-1-3-7-12/h4-5,8-9,11-12H,1-3,6-7,10H2,(H,19,23).
What are the key properties of N-[2-(cyclohexylamino)-2-oxoethyl]-N-(2-fluorophenyl)thiadiazole-4-carboxamide?
N-[2-(cyclohexylamino)-2-oxoethyl]-N-(2-fluorophenyl)thiadiazole-4-carboxamide has a molecular weight of 362.43 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexylamino)-2-oxoethyl]-N-(2-fluorophenyl)thiadiazole-4-carboxamide is sourced from PubChem (CID 24793359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).