N-(3-aminopropyl)-2-propan-2-yl-1,3-thiazole-4-carboxamide;dihydrochloride

C10H19Cl2N3OS — CID 119407394

IUPACN-(3-aminopropyl)-2-propan-2-yl-1,3-thiazole-4-carboxamide;dihydrochloride
SMILESCC(C)c1nc(C(=O)NCCCN)cs1.Cl.Cl
InChIInChI=1S/C10H17N3OS.2ClH/c1-7(2)10-13-8(6-15-10)9(14)12-5-3-4-11;;/h6-7H,3-5,11H2,1-2H3,(H,12,14);2*1H
InChIKeyKWKZWYZFNNCAGO-UHFFFAOYSA-N
MW300.26 g/mol
LogP2.19
Rot. Bonds5

About N-(3-aminopropyl)-2-propan-2-yl-1,3-thiazole-4-carboxamide;dihydrochloride

N-(3-aminopropyl)-2-propan-2-yl-1,3-thiazole-4-carboxamide;dihydrochloride (PubChem CID 119407394) has the molecular formula C10H19Cl2N3OS and a molecular weight of 300.26 g/mol. Its IUPAC name is N-(3-aminopropyl)-2-propan-2-yl-1,3-thiazole-4-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-(3-aminopropyl)-2-propan-2-yl-1,3-thiazole-4-carboxamide;dihydrochloride
PubChem CID119407394
Molecular FormulaC10H19Cl2N3OS
Molecular Weight300.26 g/mol
Exact Mass299.06
IUPAC NameN-(3-aminopropyl)-2-propan-2-yl-1,3-thiazole-4-carboxamide;dihydrochloride
SMILESCC(C)c1nc(C(=O)NCCCN)cs1.Cl.Cl
InChIInChI=1S/C10H17N3OS.2ClH/c1-7(2)10-13-8(6-15-10)9(14)12-5-3-4-11;;/h6-7H,3-5,11H2,1-2H3,(H,12,14);2*1H
InChIKeyKWKZWYZFNNCAGO-UHFFFAOYSA-N
XLogP2.19
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.26
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(3-aminopropyl)-2-propan-2-yl-1,3-thiazole-4-carboxamide;dihydrochloride 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

N-pentyl-2-propan-2-yl-1,3-thiazole-4-carboxamide
CID 110694251
N-(3-piperazin-1-ylpropyl)-2-propan-2-yl-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119393049
2-(aminomethyl)-N-(3-aminopropyl)-1,3-thiazole-4-carboxamide
CID 66375745
2-(1-aminoethyl)-N-(5-methylhexyl)-1,3-thiazole-4-carboxamide
CID 113287433
2-(1-aminoethyl)-N-[3-(dimethylamino)propyl]-1,3-thiazole-4-carboxamide
CID 66374195
N-[2-(methylamino)propyl]-2-propan-2-yl-1,3-thiazole-4-carboxamide
CID 120830806
2-(1-aminoethyl)-N-(3-propoxypropyl)-1,3-thiazole-4-carboxamide
CID 82939939
N-(2-amino-2-phenylethyl)-2-propan-2-yl-1,3-thiazole-4-carboxamide
CID 119528766
N-(3-aminopropyl)-2-benzyl-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119405606
N-(3-aminopropyl)-5-propan-2-yl-1,2-oxazole-3-carboxamide
CID 110833086
N-(4-aminocyclohexyl)-2-propan-2-yl-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119477267
2-(1-aminoethyl)-N-(2-cyanoethyl)-1,3-thiazole-4-carboxamide
CID 66374975

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-2-propan-2-yl-1,3-thiazole-4-carboxamide;dihydrochloride?
The IUPAC name of N-(3-aminopropyl)-2-propan-2-yl-1,3-thiazole-4-carboxamide;dihydrochloride (CID 119407394) is N-(3-aminopropyl)-2-propan-2-yl-1,3-thiazole-4-carboxamide;dihydrochloride.
What is the SMILES notation for N-(3-aminopropyl)-2-propan-2-yl-1,3-thiazole-4-carboxamide;dihydrochloride?
The canonical SMILES for N-(3-aminopropyl)-2-propan-2-yl-1,3-thiazole-4-carboxamide;dihydrochloride is CC(C)c1nc(C(=O)NCCCN)cs1.Cl.Cl.
What is the InChIKey of N-(3-aminopropyl)-2-propan-2-yl-1,3-thiazole-4-carboxamide;dihydrochloride?
The InChIKey is KWKZWYZFNNCAGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3OS.2ClH/c1-7(2)10-13-8(6-15-10)9(14)12-5-3-4-11;;/h6-7H,3-5,11H2,1-2H3,(H,12,14);2*1H.
What are the key properties of N-(3-aminopropyl)-2-propan-2-yl-1,3-thiazole-4-carboxamide;dihydrochloride?
N-(3-aminopropyl)-2-propan-2-yl-1,3-thiazole-4-carboxamide;dihydrochloride has a molecular weight of 300.26 g/mol, XLogP of 2.19, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-2-propan-2-yl-1,3-thiazole-4-carboxamide;dihydrochloride is sourced from PubChem (CID 119407394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).