3-amino-5-[2-[cyclopropyl(methyl)amino]propylamino]-1,2-thiazole-4-carboxamide

C11H19N5OS — CID 114133625

IUPAC3-amino-5-[2-[cyclopropyl(methyl)amino]propylamino]-1,2-thiazole-4-carboxamide
SMILESCC(CNc1snc(N)c1C(N)=O)N(C)C1CC1
InChIInChI=1S/C11H19N5OS/c1-6(16(2)7-3-4-7)5-14-11-8(10(13)17)9(12)15-18-11/h6-7,14H,3-5H2,1-2H3,(H2,12,15)(H2,13,17)
InChIKeyXEJOZKHUAAJISP-UHFFFAOYSA-N
MW269.37 g/mol
LogP0.72
Rot. Bonds6

About 3-amino-5-[2-[cyclopropyl(methyl)amino]propylamino]-1,2-thiazole-4-carboxamide

3-amino-5-[2-[cyclopropyl(methyl)amino]propylamino]-1,2-thiazole-4-carboxamide (PubChem CID 114133625) has the molecular formula C11H19N5OS and a molecular weight of 269.37 g/mol. Its IUPAC name is 3-amino-5-[2-[cyclopropyl(methyl)amino]propylamino]-1,2-thiazole-4-carboxamide.

Molecular Properties

Compound Name3-amino-5-[2-[cyclopropyl(methyl)amino]propylamino]-1,2-thiazole-4-carboxamide
PubChem CID114133625
Molecular FormulaC11H19N5OS
Molecular Weight269.37 g/mol
Exact Mass269.13
IUPAC Name3-amino-5-[2-[cyclopropyl(methyl)amino]propylamino]-1,2-thiazole-4-carboxamide
SMILESCC(CNc1snc(N)c1C(N)=O)N(C)C1CC1
InChIInChI=1S/C11H19N5OS/c1-6(16(2)7-3-4-7)5-14-11-8(10(13)17)9(12)15-18-11/h6-7,14H,3-5H2,1-2H3,(H2,12,15)(H2,13,17)
InChIKeyXEJOZKHUAAJISP-UHFFFAOYSA-N
XLogP0.72
TPSA97.27 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 50.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 3-amino-5-[2-[cyclopropyl(methyl)amino]propylamino]-1,2-thiazole-4-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-[2-[cyclopropyl(methyl)amino]propylamino]-1,2-thiazole-4-carboxamide?
The IUPAC name of 3-amino-5-[2-[cyclopropyl(methyl)amino]propylamino]-1,2-thiazole-4-carboxamide (CID 114133625) is 3-amino-5-[2-[cyclopropyl(methyl)amino]propylamino]-1,2-thiazole-4-carboxamide.
What is the SMILES notation for 3-amino-5-[2-[cyclopropyl(methyl)amino]propylamino]-1,2-thiazole-4-carboxamide?
The canonical SMILES for 3-amino-5-[2-[cyclopropyl(methyl)amino]propylamino]-1,2-thiazole-4-carboxamide is CC(CNc1snc(N)c1C(N)=O)N(C)C1CC1.
What is the InChIKey of 3-amino-5-[2-[cyclopropyl(methyl)amino]propylamino]-1,2-thiazole-4-carboxamide?
The InChIKey is XEJOZKHUAAJISP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5OS/c1-6(16(2)7-3-4-7)5-14-11-8(10(13)17)9(12)15-18-11/h6-7,14H,3-5H2,1-2H3,(H2,12,15)(H2,13,17).
What are the key properties of 3-amino-5-[2-[cyclopropyl(methyl)amino]propylamino]-1,2-thiazole-4-carboxamide?
3-amino-5-[2-[cyclopropyl(methyl)amino]propylamino]-1,2-thiazole-4-carboxamide has a molecular weight of 269.37 g/mol, XLogP of 0.72, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-[2-[cyclopropyl(methyl)amino]propylamino]-1,2-thiazole-4-carboxamide is sourced from PubChem (CID 114133625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).