2-(aminomethyl)-N-[2-(2,2-dimethylpropanoylamino)ethyl]-1,3-thiazole-4-carboxamide;hydrochloride

C12H21ClN4O2S — CID 119763190

IUPAC2-(aminomethyl)-N-[2-(2,2-dimethylpropanoylamino)ethyl]-1,3-thiazole-4-carboxamide;hydrochloride
SMILESCC(C)(C)C(=O)NCCNC(=O)c1csc(CN)n1.Cl
InChIInChI=1S/C12H20N4O2S.ClH/c1-12(2,3)11(18)15-5-4-14-10(17)8-7-19-9(6-13)16-8;/h7H,4-6,13H2,1-3H3,(H,14,17)(H,15,18);1H
InChIKeyHCYPWCXRFHYATB-UHFFFAOYSA-N
MW320.85 g/mol
LogP0.92
Rot. Bonds5

About 2-(aminomethyl)-N-[2-(2,2-dimethylpropanoylamino)ethyl]-1,3-thiazole-4-carboxamide;hydrochloride

2-(aminomethyl)-N-[2-(2,2-dimethylpropanoylamino)ethyl]-1,3-thiazole-4-carboxamide;hydrochloride (PubChem CID 119763190) has the molecular formula C12H21ClN4O2S and a molecular weight of 320.85 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[2-(2,2-dimethylpropanoylamino)ethyl]-1,3-thiazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name2-(aminomethyl)-N-[2-(2,2-dimethylpropanoylamino)ethyl]-1,3-thiazole-4-carboxamide;hydrochloride
PubChem CID119763190
Molecular FormulaC12H21ClN4O2S
Molecular Weight320.85 g/mol
Exact Mass320.11
IUPAC Name2-(aminomethyl)-N-[2-(2,2-dimethylpropanoylamino)ethyl]-1,3-thiazole-4-carboxamide;hydrochloride
SMILESCC(C)(C)C(=O)NCCNC(=O)c1csc(CN)n1.Cl
InChIInChI=1S/C12H20N4O2S.ClH/c1-12(2,3)11(18)15-5-4-14-10(17)8-7-19-9(6-13)16-8;/h7H,4-6,13H2,1-3H3,(H,14,17)(H,15,18);1H
InChIKeyHCYPWCXRFHYATB-UHFFFAOYSA-N
XLogP0.92
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.85
LogP ≤ 50.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-(aminomethyl)-N-[2-(2,2-dimethylpropanoylamino)ethyl]-1,3-thiazole-4-carboxamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(aminomethyl)-N-(2-hydroxyethyl)-1,3-thiazole-4-carboxamide
CID 66375870
2-(aminomethyl)-N-[2-(dimethylcarbamoylamino)ethyl]-1,3-thiazole-4-carboxamide
CID 83109262
2-(aminomethyl)-N-(3-aminopropyl)-1,3-thiazole-4-carboxamide
CID 66375745
2-(aminomethyl)-N-[2-(4-methylcyclohexyl)ethyl]-1,3-thiazole-4-carboxamide
CID 66380240
2-(aminomethyl)-N-[2-(2-methoxyethoxy)ethyl]-1,3-thiazole-4-carboxamide
CID 66377889
2-(aminomethyl)-N-(3-ethoxypropyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 119675579
2-(aminomethyl)-N-(2-thiophen-2-ylethyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 119687938
2-(aminomethyl)-N-[2-[(2-cyclohexylacetyl)amino]ethyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 119766803
2-(aminomethyl)-N-[(4-tert-butylcyclohexyl)methyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 119808652
2-(aminomethyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide
CID 66376828
2-(aminomethyl)-N-[3-[(5-methyl-2-pyridinyl)amino]propyl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119888059
2-(aminomethyl)-N-(3-anilinopropyl)-1,3-thiazole-4-carboxamide
CID 119867801

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[2-(2,2-dimethylpropanoylamino)ethyl]-1,3-thiazole-4-carboxamide;hydrochloride?
The IUPAC name of 2-(aminomethyl)-N-[2-(2,2-dimethylpropanoylamino)ethyl]-1,3-thiazole-4-carboxamide;hydrochloride (CID 119763190) is 2-(aminomethyl)-N-[2-(2,2-dimethylpropanoylamino)ethyl]-1,3-thiazole-4-carboxamide;hydrochloride.
What is the SMILES notation for 2-(aminomethyl)-N-[2-(2,2-dimethylpropanoylamino)ethyl]-1,3-thiazole-4-carboxamide;hydrochloride?
The canonical SMILES for 2-(aminomethyl)-N-[2-(2,2-dimethylpropanoylamino)ethyl]-1,3-thiazole-4-carboxamide;hydrochloride is CC(C)(C)C(=O)NCCNC(=O)c1csc(CN)n1.Cl.
What is the InChIKey of 2-(aminomethyl)-N-[2-(2,2-dimethylpropanoylamino)ethyl]-1,3-thiazole-4-carboxamide;hydrochloride?
The InChIKey is HCYPWCXRFHYATB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2S.ClH/c1-12(2,3)11(18)15-5-4-14-10(17)8-7-19-9(6-13)16-8;/h7H,4-6,13H2,1-3H3,(H,14,17)(H,15,18);1H.
What are the key properties of 2-(aminomethyl)-N-[2-(2,2-dimethylpropanoylamino)ethyl]-1,3-thiazole-4-carboxamide;hydrochloride?
2-(aminomethyl)-N-[2-(2,2-dimethylpropanoylamino)ethyl]-1,3-thiazole-4-carboxamide;hydrochloride has a molecular weight of 320.85 g/mol, XLogP of 0.92, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[2-(2,2-dimethylpropanoylamino)ethyl]-1,3-thiazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 119763190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).