2-(cyanoamino)-N-(5-cyclohexyl-1,3-thiazol-2-yl)cyclopentane-1-carboxamide

C16H22N4OS — CID 138530017

IUPAC2-(cyanoamino)-N-(5-cyclohexyl-1,3-thiazol-2-yl)cyclopentane-1-carboxamide
SMILESN#CNC1CCCC1C(=O)Nc1ncc(C2CCCCC2)s1
InChIInChI=1S/C16H22N4OS/c17-10-19-13-8-4-7-12(13)15(21)20-16-18-9-14(22-16)11-5-2-1-3-6-11/h9,11-13,19H,1-8H2,(H,18,20,21)
InChIKeyMILDSRCRMROFRX-UHFFFAOYSA-N
MW318.45 g/mol
LogP3.37
Rot. Bonds4

About 2-(cyanoamino)-N-(5-cyclohexyl-1,3-thiazol-2-yl)cyclopentane-1-carboxamide

2-(cyanoamino)-N-(5-cyclohexyl-1,3-thiazol-2-yl)cyclopentane-1-carboxamide (PubChem CID 138530017) has the molecular formula C16H22N4OS and a molecular weight of 318.45 g/mol. Its IUPAC name is 2-(cyanoamino)-N-(5-cyclohexyl-1,3-thiazol-2-yl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name2-(cyanoamino)-N-(5-cyclohexyl-1,3-thiazol-2-yl)cyclopentane-1-carboxamide
PubChem CID138530017
Molecular FormulaC16H22N4OS
Molecular Weight318.45 g/mol
Exact Mass318.15
IUPAC Name2-(cyanoamino)-N-(5-cyclohexyl-1,3-thiazol-2-yl)cyclopentane-1-carboxamide
SMILESN#CNC1CCCC1C(=O)Nc1ncc(C2CCCCC2)s1
InChIInChI=1S/C16H22N4OS/c17-10-19-13-8-4-7-12(13)15(21)20-16-18-9-14(22-16)11-5-2-1-3-6-11/h9,11-13,19H,1-8H2,(H,18,20,21)
InChIKeyMILDSRCRMROFRX-UHFFFAOYSA-N
XLogP3.37
TPSA77.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.45
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}

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Related Compounds

N-[5-(cyclohexylmethyl)thiazol-2-yl]cyclohexanecarboxamide
CID 118726221
3-cyclohexyl-N-[5-(cyclohexylmethyl)thiazol-2-yl]propanamide
CID 118726223
N-[5-(cyclopentylmethyl)-1,3-thiazol-2-yl]cyclohexanecarboxamide
CID 145967505
N-[5-(cyclohexylmethyl)thiazol-2-yl]-2-methyl-propanamide
CID 118726220
2-cyclohexyl-N-[5-(cyclohexylmethyl)thiazol-2-yl]acetamide
CID 118726222
3-cyclohexyl-N-[5-(cyclopentylmethyl)-1,3-thiazol-2-yl]propanamide
CID 145967806
N-(5-ethyl-1,3-thiazol-2-yl)cyclohexanecarboxamide
CID 145969358
3-cyclohexyl-N-(5-ethyl-1,3-thiazol-2-yl)propanamide
CID 145970464
Cyclohexyl-[2-(cyclohexylamino)-1,3-thiazol-5-yl]methanone
CID 172464220
2-cyclohexyl-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)acetamide
CID 121834436
3-cyclohexyl-N-[5-[(2,3,4,5,6-pentafluorocyclohexyl)methyl]-1,3-thiazol-2-yl]propanamide
CID 123189229
3-cyclohexyl-N-[5-[(3,4-difluorocyclohexyl)methyl]-1,3-thiazol-2-yl]propanamide
CID 123485669

Frequently Asked Questions

What is the IUPAC name of 2-(cyanoamino)-N-(5-cyclohexyl-1,3-thiazol-2-yl)cyclopentane-1-carboxamide?
The IUPAC name of 2-(cyanoamino)-N-(5-cyclohexyl-1,3-thiazol-2-yl)cyclopentane-1-carboxamide (CID 138530017) is 2-(cyanoamino)-N-(5-cyclohexyl-1,3-thiazol-2-yl)cyclopentane-1-carboxamide.
What is the SMILES notation for 2-(cyanoamino)-N-(5-cyclohexyl-1,3-thiazol-2-yl)cyclopentane-1-carboxamide?
The canonical SMILES for 2-(cyanoamino)-N-(5-cyclohexyl-1,3-thiazol-2-yl)cyclopentane-1-carboxamide is N#CNC1CCCC1C(=O)Nc1ncc(C2CCCCC2)s1.
What is the InChIKey of 2-(cyanoamino)-N-(5-cyclohexyl-1,3-thiazol-2-yl)cyclopentane-1-carboxamide?
The InChIKey is MILDSRCRMROFRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4OS/c17-10-19-13-8-4-7-12(13)15(21)20-16-18-9-14(22-16)11-5-2-1-3-6-11/h9,11-13,19H,1-8H2,(H,18,20,21).
What are the key properties of 2-(cyanoamino)-N-(5-cyclohexyl-1,3-thiazol-2-yl)cyclopentane-1-carboxamide?
2-(cyanoamino)-N-(5-cyclohexyl-1,3-thiazol-2-yl)cyclopentane-1-carboxamide has a molecular weight of 318.45 g/mol, XLogP of 3.37, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyanoamino)-N-(5-cyclohexyl-1,3-thiazol-2-yl)cyclopentane-1-carboxamide is sourced from PubChem (CID 138530017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).