2-(1-aminopentyl)-N-[2-(cyclohexen-1-yl)ethyl]-1,3-thiazole-4-carboxamide

C17H27N3OS — CID 3835694

IUPAC2-(1-aminopentyl)-N-[2-(cyclohexen-1-yl)ethyl]-1,3-thiazole-4-carboxamide
SMILESCCCCC(N)c1nc(C(=O)NCCC2=CCCCC2)cs1
InChIInChI=1S/C17H27N3OS/c1-2-3-9-14(18)17-20-15(12-22-17)16(21)19-11-10-13-7-5-4-6-8-13/h7,12,14H,2-6,8-11,18H2,1H3,(H,19,21)
InChIKeyDHELNTQFEPTKJT-UHFFFAOYSA-N
MW321.49 g/mol
LogP3.95
Rot. Bonds8

About 2-(1-aminopentyl)-N-[2-(cyclohexen-1-yl)ethyl]-1,3-thiazole-4-carboxamide

2-(1-aminopentyl)-N-[2-(cyclohexen-1-yl)ethyl]-1,3-thiazole-4-carboxamide (PubChem CID 3835694) has the molecular formula C17H27N3OS and a molecular weight of 321.49 g/mol. Its IUPAC name is 2-(1-aminopentyl)-N-[2-(cyclohexen-1-yl)ethyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(1-aminopentyl)-N-[2-(cyclohexen-1-yl)ethyl]-1,3-thiazole-4-carboxamide
PubChem CID3835694
Molecular FormulaC17H27N3OS
Molecular Weight321.49 g/mol
Exact Mass321.19
IUPAC Name2-(1-aminopentyl)-N-[2-(cyclohexen-1-yl)ethyl]-1,3-thiazole-4-carboxamide
SMILESCCCCC(N)c1nc(C(=O)NCCC2=CCCCC2)cs1
InChIInChI=1S/C17H27N3OS/c1-2-3-9-14(18)17-20-15(12-22-17)16(21)19-11-10-13-7-5-4-6-8-13/h7,12,14H,2-6,8-11,18H2,1H3,(H,19,21)
InChIKeyDHELNTQFEPTKJT-UHFFFAOYSA-N
XLogP3.95
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.49
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-(1-aminoethyl)-N-[2-(cyclohexen-1-yl)ethyl]-1,3-thiazole-4-carboxamide
CID 3432872
2-(1-aminopentyl)-N-[2-(2,4-dichlorophenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 5000241
2-(2-aminoethyl)-N-[2-(cyclopenten-1-yl)ethyl]-1,3-thiazole-4-carboxamide
CID 106175458
N-[2-(cyclohexen-1-yl)ethyl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 46628227
2-(1-aminobutyl)-N-[2-(3-chlorophenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 3832974
N-[2-(cyclohexen-1-yl)ethyl]-1,3-thiazole-4-carboxamide
CID 62046502
N-(1-adamantyl)-2-(1-aminopentyl)-1,3-thiazole-4-carboxamide
CID 5177534
2-(butylamino)-N-[2-(cyclohexen-1-yl)ethyl]pyrimidine-4-carboxamide
CID 109296312
N-[2-(cyclohexen-1-yl)ethyl]-6-methyl-2-(propylamino)pyrimidine-4-carboxamide
CID 109318871
N-[2-(cyclohexen-1-yl)ethyl]-2-ethylbutanamide
CID 5121995
(2S)-2-amino-N-[2-(cyclohexen-1-yl)ethyl]propanamide
CID 22690442
N-[2-(cyclohexen-1-yl)ethyl]-6-[2-(cyclohexen-1-yl)ethylamino]pyrimidine-4-carboxamide
CID 109342498

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminopentyl)-N-[2-(cyclohexen-1-yl)ethyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(1-aminopentyl)-N-[2-(cyclohexen-1-yl)ethyl]-1,3-thiazole-4-carboxamide (CID 3835694) is 2-(1-aminopentyl)-N-[2-(cyclohexen-1-yl)ethyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(1-aminopentyl)-N-[2-(cyclohexen-1-yl)ethyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(1-aminopentyl)-N-[2-(cyclohexen-1-yl)ethyl]-1,3-thiazole-4-carboxamide is CCCCC(N)c1nc(C(=O)NCCC2=CCCCC2)cs1.
What is the InChIKey of 2-(1-aminopentyl)-N-[2-(cyclohexen-1-yl)ethyl]-1,3-thiazole-4-carboxamide?
The InChIKey is DHELNTQFEPTKJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3OS/c1-2-3-9-14(18)17-20-15(12-22-17)16(21)19-11-10-13-7-5-4-6-8-13/h7,12,14H,2-6,8-11,18H2,1H3,(H,19,21).
What are the key properties of 2-(1-aminopentyl)-N-[2-(cyclohexen-1-yl)ethyl]-1,3-thiazole-4-carboxamide?
2-(1-aminopentyl)-N-[2-(cyclohexen-1-yl)ethyl]-1,3-thiazole-4-carboxamide has a molecular weight of 321.49 g/mol, XLogP of 3.95, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminopentyl)-N-[2-(cyclohexen-1-yl)ethyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 3835694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).