1-cyano-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]cyclohexane-1-carboxamide

C17H24N4OS — CID 56791003

IUPAC1-cyano-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]cyclohexane-1-carboxamide
SMILESN#CC1(C(=O)NCCc2csc(N3CCCC3)n2)CCCCC1
InChIInChI=1S/C17H24N4OS/c18-13-17(7-2-1-3-8-17)15(22)19-9-6-14-12-23-16(20-14)21-10-4-5-11-21/h12H,1-11H2,(H,19,22)
InChIKeyBJXGDAYGKSIBAV-UHFFFAOYSA-N
MW332.47 g/mol
LogP2.88
Rot. Bonds5

About 1-cyano-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]cyclohexane-1-carboxamide

1-cyano-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]cyclohexane-1-carboxamide (PubChem CID 56791003) has the molecular formula C17H24N4OS and a molecular weight of 332.47 g/mol. Its IUPAC name is 1-cyano-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-cyano-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]cyclohexane-1-carboxamide
PubChem CID56791003
Molecular FormulaC17H24N4OS
Molecular Weight332.47 g/mol
Exact Mass332.17
IUPAC Name1-cyano-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]cyclohexane-1-carboxamide
SMILESN#CC1(C(=O)NCCc2csc(N3CCCC3)n2)CCCCC1
InChIInChI=1S/C17H24N4OS/c18-13-17(7-2-1-3-8-17)15(22)19-9-6-14-12-23-16(20-14)21-10-4-5-11-21/h12H,1-11H2,(H,19,22)
InChIKeyBJXGDAYGKSIBAV-UHFFFAOYSA-N
XLogP2.88
TPSA69.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.47
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(cyclohexylmethyl)-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide
CID 17540966
2-(cyclohexen-1-yl)-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]acetamide
CID 56792317
1-[4-(4-Methyl-1,3-thiazol-2-yl)piperazine-1-carbonyl]cyclohexane-1-carbonitrile
CID 56819709
1-[4-(4-Methyl-1,3-thiazol-2-yl)-1,4-diazepane-1-carbonyl]cyclohexane-1-carbonitrile
CID 56819720
N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]-3-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide
CID 166314078
4-fluoro-4-methyl-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]cyclohexane-1-carboxamide
CID 167862867
N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 17407968
6-amino-N-[4-[2-(cyclohexylmethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]hexanamide
CID 11501508
N-[4-[2-(5-aminopentylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-2-cyclohexylacetamide
CID 11581423
N-[4-[2-(cyclohexylmethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-6-(methylamino)hexanamide
CID 143192689
N-[2-oxo-2-[[4-[2-oxo-2-(2-pyrrolidin-1-ylethylamino)ethyl]-1,3-thiazol-2-yl]amino]ethyl]-N-propan-2-ylcyclohexanecarboxamide
CID 1030081
N-[2-oxo-2-[[4-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-thiazol-2-yl]amino]ethyl]-N-propan-2-ylcyclohexanecarboxamide
CID 4058473

Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]cyclohexane-1-carboxamide?
The IUPAC name of 1-cyano-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]cyclohexane-1-carboxamide (CID 56791003) is 1-cyano-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 1-cyano-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]cyclohexane-1-carboxamide?
The canonical SMILES for 1-cyano-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]cyclohexane-1-carboxamide is N#CC1(C(=O)NCCc2csc(N3CCCC3)n2)CCCCC1.
What is the InChIKey of 1-cyano-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]cyclohexane-1-carboxamide?
The InChIKey is BJXGDAYGKSIBAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4OS/c18-13-17(7-2-1-3-8-17)15(22)19-9-6-14-12-23-16(20-14)21-10-4-5-11-21/h12H,1-11H2,(H,19,22).
What are the key properties of 1-cyano-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]cyclohexane-1-carboxamide?
1-cyano-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]cyclohexane-1-carboxamide has a molecular weight of 332.47 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 56791003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).