2-amino-N-[3-[cyclohexyl(methyl)amino]propyl]-1,3-thiazole-4-carboxamide

C14H24N4OS — CID 62788783

IUPAC2-amino-N-[3-[cyclohexyl(methyl)amino]propyl]-1,3-thiazole-4-carboxamide
SMILESCN(CCCNC(=O)c1csc(N)n1)C1CCCCC1
InChIInChI=1S/C14H24N4OS/c1-18(11-6-3-2-4-7-11)9-5-8-16-13(19)12-10-20-14(15)17-12/h10-11H,2-9H2,1H3,(H2,15,17)(H,16,19)
InChIKeyWILVGFZKGLYFJX-UHFFFAOYSA-N
MW296.44 g/mol
LogP2.11
Rot. Bonds6

About 2-amino-N-[3-[cyclohexyl(methyl)amino]propyl]-1,3-thiazole-4-carboxamide

2-amino-N-[3-[cyclohexyl(methyl)amino]propyl]-1,3-thiazole-4-carboxamide (PubChem CID 62788783) has the molecular formula C14H24N4OS and a molecular weight of 296.44 g/mol. Its IUPAC name is 2-amino-N-[3-[cyclohexyl(methyl)amino]propyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-amino-N-[3-[cyclohexyl(methyl)amino]propyl]-1,3-thiazole-4-carboxamide
PubChem CID62788783
Molecular FormulaC14H24N4OS
Molecular Weight296.44 g/mol
Exact Mass296.17
IUPAC Name2-amino-N-[3-[cyclohexyl(methyl)amino]propyl]-1,3-thiazole-4-carboxamide
SMILESCN(CCCNC(=O)c1csc(N)n1)C1CCCCC1
InChIInChI=1S/C14H24N4OS/c1-18(11-6-3-2-4-7-11)9-5-8-16-13(19)12-10-20-14(15)17-12/h10-11H,2-9H2,1H3,(H2,15,17)(H,16,19)
InChIKeyWILVGFZKGLYFJX-UHFFFAOYSA-N
XLogP2.11
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-1,3-thiazole-4-carboxamide
CID 62975755
2-amino-N-(3-cyclohexyloxypropyl)-1,3-thiazole-4-carboxamide
CID 62786886
2-amino-N-[3-(diethylamino)propyl]-1,3-thiazole-4-carboxamide
CID 55116109
2-amino-N-[3-[cyclohexyl(methyl)amino]propyl]benzamide
CID 60981646
3-amino-N-[3-[cyclohexyl(methyl)amino]propyl]-1H-pyrazole-5-carboxamide
CID 64524298
2-amino-N-[3-(2-methylpiperidin-1-yl)propyl]-1,3-thiazole-4-carboxamide
CID 62794675
2-amino-N-(2-cyclopentyloxyethyl)-1,3-thiazole-4-carboxamide
CID 63826341
2-amino-N-cyclooctyl-1,3-thiazole-4-carboxamide
CID 55116012
2-amino-N-cyclobutyl-N-(2-hydroxyethyl)-1,3-thiazole-4-carboxamide
CID 102861928
3-amino-N-[3-[cyclohexyl(methyl)amino]propyl]benzamide;dihydrochloride
CID 119851139
2-amino-N-(3-pyrrolidin-1-ylpropyl)-1,3-thiazole-4-carboxamide
CID 62787661
N-(2-acetamidoethyl)-2-amino-1,3-thiazole-4-carboxamide
CID 62788552

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[3-[cyclohexyl(methyl)amino]propyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-amino-N-[3-[cyclohexyl(methyl)amino]propyl]-1,3-thiazole-4-carboxamide (CID 62788783) is 2-amino-N-[3-[cyclohexyl(methyl)amino]propyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-amino-N-[3-[cyclohexyl(methyl)amino]propyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-amino-N-[3-[cyclohexyl(methyl)amino]propyl]-1,3-thiazole-4-carboxamide is CN(CCCNC(=O)c1csc(N)n1)C1CCCCC1.
What is the InChIKey of 2-amino-N-[3-[cyclohexyl(methyl)amino]propyl]-1,3-thiazole-4-carboxamide?
The InChIKey is WILVGFZKGLYFJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4OS/c1-18(11-6-3-2-4-7-11)9-5-8-16-13(19)12-10-20-14(15)17-12/h10-11H,2-9H2,1H3,(H2,15,17)(H,16,19).
What are the key properties of 2-amino-N-[3-[cyclohexyl(methyl)amino]propyl]-1,3-thiazole-4-carboxamide?
2-amino-N-[3-[cyclohexyl(methyl)amino]propyl]-1,3-thiazole-4-carboxamide has a molecular weight of 296.44 g/mol, XLogP of 2.11, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[3-[cyclohexyl(methyl)amino]propyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 62788783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).