1-(aminomethyl)-N-[1-(1,3-thiazol-2-yl)propyl]cyclohexane-1-carboxamide

C14H23N3OS — CID 115437914

IUPAC1-(aminomethyl)-N-[1-(1,3-thiazol-2-yl)propyl]cyclohexane-1-carboxamide
SMILESCCC(NC(=O)C1(CN)CCCCC1)c1nccs1
InChIInChI=1S/C14H23N3OS/c1-2-11(12-16-8-9-19-12)17-13(18)14(10-15)6-4-3-5-7-14/h8-9,11H,2-7,10,15H2,1H3,(H,17,18)
InChIKeyTWUGGSRFYDVUCN-UHFFFAOYSA-N
MW281.42 g/mol
LogP2.62
Rot. Bonds5

About 1-(aminomethyl)-N-[1-(1,3-thiazol-2-yl)propyl]cyclohexane-1-carboxamide

1-(aminomethyl)-N-[1-(1,3-thiazol-2-yl)propyl]cyclohexane-1-carboxamide (PubChem CID 115437914) has the molecular formula C14H23N3OS and a molecular weight of 281.42 g/mol. Its IUPAC name is 1-(aminomethyl)-N-[1-(1,3-thiazol-2-yl)propyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-[1-(1,3-thiazol-2-yl)propyl]cyclohexane-1-carboxamide
PubChem CID115437914
Molecular FormulaC14H23N3OS
Molecular Weight281.42 g/mol
Exact Mass281.16
IUPAC Name1-(aminomethyl)-N-[1-(1,3-thiazol-2-yl)propyl]cyclohexane-1-carboxamide
SMILESCCC(NC(=O)C1(CN)CCCCC1)c1nccs1
InChIInChI=1S/C14H23N3OS/c1-2-11(12-16-8-9-19-12)17-13(18)14(10-15)6-4-3-5-7-14/h8-9,11H,2-7,10,15H2,1H3,(H,17,18)
InChIKeyTWUGGSRFYDVUCN-UHFFFAOYSA-N
XLogP2.62
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-N-[1-(1,3-thiazol-2-yl)propyl]pyrrolidine-3-carboxamide;dihydrochloride
CID 119890763
1-(imidazol-1-ylmethyl)-N-[(1R)-1-(1,3-thiazol-2-yl)propyl]cyclopropane-1-carboxamide
CID 125447141
1-(aminomethyl)-N-(1,3-thiazol-2-yl)cycloheptane-1-carboxamide
CID 115443706
N-[1-(1,3-thiazol-2-yl)propyl]piperidine-1-carboxamide
CID 115642007
1-(aminomethyl)-N-[1-(4-chlorophenyl)propyl]cyclopentane-1-carboxamide
CID 115434829
1-(aminomethyl)-N-(1-thiophen-2-ylbutyl)cyclopentane-1-carboxamide
CID 115435212
2-cyclopentyl-N-[(1R)-1-(1,3-thiazol-2-yl)propyl]acetamide
CID 99630332
1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-[1-(1,3-thiazol-2-yl)propyl]urea
CID 111506596
(2R)-2-amino-N-[1-(1,3-thiazol-2-yl)propyl]pentanamide
CID 103814744
2-(aminomethyl)-4,4-dimethyl-N-[1-(1,3-thiazol-2-yl)propyl]pentanamide
CID 107472241
1-[2-[1-(1,3-thiazol-2-yl)propylamino]ethyl]cyclopentan-1-amine
CID 64682277
2,2-dimethyl-3-oxo-3-[1-(1,3-thiazol-2-yl)propylamino]propanoic acid
CID 82821210

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-[1-(1,3-thiazol-2-yl)propyl]cyclohexane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-[1-(1,3-thiazol-2-yl)propyl]cyclohexane-1-carboxamide (CID 115437914) is 1-(aminomethyl)-N-[1-(1,3-thiazol-2-yl)propyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-[1-(1,3-thiazol-2-yl)propyl]cyclohexane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-[1-(1,3-thiazol-2-yl)propyl]cyclohexane-1-carboxamide is CCC(NC(=O)C1(CN)CCCCC1)c1nccs1.
What is the InChIKey of 1-(aminomethyl)-N-[1-(1,3-thiazol-2-yl)propyl]cyclohexane-1-carboxamide?
The InChIKey is TWUGGSRFYDVUCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3OS/c1-2-11(12-16-8-9-19-12)17-13(18)14(10-15)6-4-3-5-7-14/h8-9,11H,2-7,10,15H2,1H3,(H,17,18).
What are the key properties of 1-(aminomethyl)-N-[1-(1,3-thiazol-2-yl)propyl]cyclohexane-1-carboxamide?
1-(aminomethyl)-N-[1-(1,3-thiazol-2-yl)propyl]cyclohexane-1-carboxamide has a molecular weight of 281.42 g/mol, XLogP of 2.62, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-[1-(1,3-thiazol-2-yl)propyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 115437914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).