1-[2-(cyclopropylamino)-2-oxoethyl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)cyclohexane-1-carboxamide

C16H24N4O2S — CID 9046500

IUPAC1-[2-(cyclopropylamino)-2-oxoethyl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)cyclohexane-1-carboxamide
SMILESCCc1nnc(NC(=O)C2(CC(=O)NC3CC3)CCCCC2)s1
InChIInChI=1S/C16H24N4O2S/c1-2-13-19-20-15(23-13)18-14(22)16(8-4-3-5-9-16)10-12(21)17-11-6-7-11/h11H,2-10H2,1H3,(H,17,21)(H,18,20,22)
InChIKeyLXGHEOXLCGLVAC-UHFFFAOYSA-N
MW336.46 g/mol
LogP2.66
Rot. Bonds6

About 1-[2-(cyclopropylamino)-2-oxoethyl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)cyclohexane-1-carboxamide

1-[2-(cyclopropylamino)-2-oxoethyl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)cyclohexane-1-carboxamide (PubChem CID 9046500) has the molecular formula C16H24N4O2S and a molecular weight of 336.46 g/mol. Its IUPAC name is 1-[2-(cyclopropylamino)-2-oxoethyl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-[2-(cyclopropylamino)-2-oxoethyl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)cyclohexane-1-carboxamide
PubChem CID9046500
Molecular FormulaC16H24N4O2S
Molecular Weight336.46 g/mol
Exact Mass336.16
IUPAC Name1-[2-(cyclopropylamino)-2-oxoethyl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)cyclohexane-1-carboxamide
SMILESCCc1nnc(NC(=O)C2(CC(=O)NC3CC3)CCCCC2)s1
InChIInChI=1S/C16H24N4O2S/c1-2-13-19-20-15(23-13)18-14(22)16(8-4-3-5-9-16)10-12(21)17-11-6-7-11/h11H,2-10H2,1H3,(H,17,21)(H,18,20,22)
InChIKeyLXGHEOXLCGLVAC-UHFFFAOYSA-N
XLogP2.66
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.46
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-acetamidophenyl)-1-[2-(cyclopropylamino)-2-oxoethyl]cyclopentane-1-carboxamide
CID 17436908
1-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea
CID 111473146
5-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]oxolane-2-carboxylic acid
CID 107641478
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120616725
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-methylpiperidine-3-carboxamide;hydrochloride
CID 119943678
2-[[1-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]cyclopentyl]methyl]-4-phenylbutanoic acid
CID 11603744
1-amino-N-(5-butyl-1,3,4-thiadiazol-2-yl)cyclohexane-1-carboxamide
CID 119265205
2-[[1-[[5-(cyclopropylmethyl)-1,3,4-thiadiazol-2-yl]carbamoyl]cyclopentyl]methyl]pentanoic acid
CID 11545107
1-N-cyclohexyl-4-N-(5-ethyl-1,3,4-thiadiazol-2-yl)piperidine-1,4-dicarboxamide
CID 656355
N-[2-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]cyclohexanecarboxamide
CID 50875779
1-(1-acetylpiperidin-4-yl)-3-(5-ethyl-1,3,4-thiadiazol-2-yl)urea
CID 47196092
N-(5-ethyl-1,3,4-thiadiazol-2-yl)spiro[1,3-dithiolane-2,8'-bicyclo[3.2.1]octane]-3'-carboxamide
CID 17448062

Frequently Asked Questions

What is the IUPAC name of 1-[2-(cyclopropylamino)-2-oxoethyl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)cyclohexane-1-carboxamide?
The IUPAC name of 1-[2-(cyclopropylamino)-2-oxoethyl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)cyclohexane-1-carboxamide (CID 9046500) is 1-[2-(cyclopropylamino)-2-oxoethyl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)cyclohexane-1-carboxamide.
What is the SMILES notation for 1-[2-(cyclopropylamino)-2-oxoethyl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)cyclohexane-1-carboxamide?
The canonical SMILES for 1-[2-(cyclopropylamino)-2-oxoethyl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)cyclohexane-1-carboxamide is CCc1nnc(NC(=O)C2(CC(=O)NC3CC3)CCCCC2)s1.
What is the InChIKey of 1-[2-(cyclopropylamino)-2-oxoethyl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)cyclohexane-1-carboxamide?
The InChIKey is LXGHEOXLCGLVAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O2S/c1-2-13-19-20-15(23-13)18-14(22)16(8-4-3-5-9-16)10-12(21)17-11-6-7-11/h11H,2-10H2,1H3,(H,17,21)(H,18,20,22).
What are the key properties of 1-[2-(cyclopropylamino)-2-oxoethyl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)cyclohexane-1-carboxamide?
1-[2-(cyclopropylamino)-2-oxoethyl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)cyclohexane-1-carboxamide has a molecular weight of 336.46 g/mol, XLogP of 2.66, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(cyclopropylamino)-2-oxoethyl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)cyclohexane-1-carboxamide is sourced from PubChem (CID 9046500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).