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

C12H20N4OS — CID 103814423

IUPAC2-(aminomethyl)-N-[2-[cyclopropyl(methyl)amino]propyl]-1,3-thiazole-4-carboxamide
SMILESCC(CNC(=O)c1csc(CN)n1)N(C)C1CC1
InChIInChI=1S/C12H20N4OS/c1-8(16(2)9-3-4-9)6-14-12(17)10-7-18-11(5-13)15-10/h7-9H,3-6,13H2,1-2H3,(H,14,17)
InChIKeyKSCULOQULMKMCZ-UHFFFAOYSA-N
MW268.39 g/mol
LogP0.81
Rot. Bonds6

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

2-(aminomethyl)-N-[2-[cyclopropyl(methyl)amino]propyl]-1,3-thiazole-4-carboxamide (PubChem CID 103814423) has the molecular formula C12H20N4OS and a molecular weight of 268.39 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[2-[cyclopropyl(methyl)amino]propyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-[2-[cyclopropyl(methyl)amino]propyl]-1,3-thiazole-4-carboxamide
PubChem CID103814423
Molecular FormulaC12H20N4OS
Molecular Weight268.39 g/mol
Exact Mass268.14
IUPAC Name2-(aminomethyl)-N-[2-[cyclopropyl(methyl)amino]propyl]-1,3-thiazole-4-carboxamide
SMILESCC(CNC(=O)c1csc(CN)n1)N(C)C1CC1
InChIInChI=1S/C12H20N4OS/c1-8(16(2)9-3-4-9)6-14-12(17)10-7-18-11(5-13)15-10/h7-9H,3-6,13H2,1-2H3,(H,14,17)
InChIKeyKSCULOQULMKMCZ-UHFFFAOYSA-N
XLogP0.81
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.39
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(aminomethyl)-N-(2,3-dimethylbutyl)-1,3-thiazole-4-carboxamide
CID 66380048
2-(aminomethyl)-N-[2-[cyclopropyl(ethyl)amino]ethyl]-1,3-thiazole-4-carboxamide
CID 103814336
2-(aminomethyl)-N-(2-ethoxypropyl)-1,3-thiazole-4-carboxamide
CID 115739469
2-(aminomethyl)-N-(2-hydroxy-3-methylpentyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 119784039
2-(aminomethyl)-N-[2-(4-methylpiperidin-1-yl)propyl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119866579
2-(aminomethyl)-N-cyclobutyl-N-methyl-1,3-thiazole-4-carboxamide
CID 115739589
2-(aminomethyl)-N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 119859473
2-(aminomethyl)-N-[2-(dimethylcarbamoylamino)ethyl]-1,3-thiazole-4-carboxamide
CID 83109262
2-(aminomethyl)-N-cyclopropyl-N-(2-hydroxyethyl)-1,3-thiazole-4-carboxamide
CID 66376261
2-(aminomethyl)-N-(1-cyclopentylethyl)-1,3-thiazole-4-carboxamide
CID 66379851
2-(aminomethyl)-N-[2-(4-methylphenyl)propyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 119795780
2-(aminomethyl)-N-(cyclooctylmethyl)-1,3-thiazole-4-carboxamide
CID 119741882

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[2-[cyclopropyl(methyl)amino]propyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(aminomethyl)-N-[2-[cyclopropyl(methyl)amino]propyl]-1,3-thiazole-4-carboxamide (CID 103814423) is 2-(aminomethyl)-N-[2-[cyclopropyl(methyl)amino]propyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(aminomethyl)-N-[2-[cyclopropyl(methyl)amino]propyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(aminomethyl)-N-[2-[cyclopropyl(methyl)amino]propyl]-1,3-thiazole-4-carboxamide is CC(CNC(=O)c1csc(CN)n1)N(C)C1CC1.
What is the InChIKey of 2-(aminomethyl)-N-[2-[cyclopropyl(methyl)amino]propyl]-1,3-thiazole-4-carboxamide?
The InChIKey is KSCULOQULMKMCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4OS/c1-8(16(2)9-3-4-9)6-14-12(17)10-7-18-11(5-13)15-10/h7-9H,3-6,13H2,1-2H3,(H,14,17).
What are the key properties of 2-(aminomethyl)-N-[2-[cyclopropyl(methyl)amino]propyl]-1,3-thiazole-4-carboxamide?
2-(aminomethyl)-N-[2-[cyclopropyl(methyl)amino]propyl]-1,3-thiazole-4-carboxamide has a molecular weight of 268.39 g/mol, XLogP of 0.81, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[2-[cyclopropyl(methyl)amino]propyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 103814423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).