3-amino-N-cyclopropyl-5-[ethyl(3-hydroxypropyl)amino]-1,2-thiazole-4-carboxamide

C12H20N4O2S — CID 103384359

IUPAC3-amino-N-cyclopropyl-5-[ethyl(3-hydroxypropyl)amino]-1,2-thiazole-4-carboxamide
SMILESCCN(CCCO)c1snc(N)c1C(=O)NC1CC1
InChIInChI=1S/C12H20N4O2S/c1-2-16(6-3-7-17)12-9(10(13)15-19-12)11(18)14-8-4-5-8/h8,17H,2-7H2,1H3,(H2,13,15)(H,14,18)
InChIKeyKJISHRMQMLUGPL-UHFFFAOYSA-N
MW284.38 g/mol
LogP0.83
Rot. Bonds7

About 3-amino-N-cyclopropyl-5-[ethyl(3-hydroxypropyl)amino]-1,2-thiazole-4-carboxamide

3-amino-N-cyclopropyl-5-[ethyl(3-hydroxypropyl)amino]-1,2-thiazole-4-carboxamide (PubChem CID 103384359) has the molecular formula C12H20N4O2S and a molecular weight of 284.38 g/mol. Its IUPAC name is 3-amino-N-cyclopropyl-5-[ethyl(3-hydroxypropyl)amino]-1,2-thiazole-4-carboxamide.

Molecular Properties

Compound Name3-amino-N-cyclopropyl-5-[ethyl(3-hydroxypropyl)amino]-1,2-thiazole-4-carboxamide
PubChem CID103384359
Molecular FormulaC12H20N4O2S
Molecular Weight284.38 g/mol
Exact Mass284.13
IUPAC Name3-amino-N-cyclopropyl-5-[ethyl(3-hydroxypropyl)amino]-1,2-thiazole-4-carboxamide
SMILESCCN(CCCO)c1snc(N)c1C(=O)NC1CC1
InChIInChI=1S/C12H20N4O2S/c1-2-16(6-3-7-17)12-9(10(13)15-19-12)11(18)14-8-4-5-8/h8,17H,2-7H2,1H3,(H2,13,15)(H,14,18)
InChIKeyKJISHRMQMLUGPL-UHFFFAOYSA-N
XLogP0.83
TPSA91.48 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 50.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 3-amino-N-cyclopropyl-5-[ethyl(3-hydroxypropyl)amino]-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-N-cyclopropyl-5-[ethyl(3-hydroxypropyl)amino]-1,2-thiazole-4-carboxamide?
The IUPAC name of 3-amino-N-cyclopropyl-5-[ethyl(3-hydroxypropyl)amino]-1,2-thiazole-4-carboxamide (CID 103384359) is 3-amino-N-cyclopropyl-5-[ethyl(3-hydroxypropyl)amino]-1,2-thiazole-4-carboxamide.
What is the SMILES notation for 3-amino-N-cyclopropyl-5-[ethyl(3-hydroxypropyl)amino]-1,2-thiazole-4-carboxamide?
The canonical SMILES for 3-amino-N-cyclopropyl-5-[ethyl(3-hydroxypropyl)amino]-1,2-thiazole-4-carboxamide is CCN(CCCO)c1snc(N)c1C(=O)NC1CC1.
What is the InChIKey of 3-amino-N-cyclopropyl-5-[ethyl(3-hydroxypropyl)amino]-1,2-thiazole-4-carboxamide?
The InChIKey is KJISHRMQMLUGPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2S/c1-2-16(6-3-7-17)12-9(10(13)15-19-12)11(18)14-8-4-5-8/h8,17H,2-7H2,1H3,(H2,13,15)(H,14,18).
What are the key properties of 3-amino-N-cyclopropyl-5-[ethyl(3-hydroxypropyl)amino]-1,2-thiazole-4-carboxamide?
3-amino-N-cyclopropyl-5-[ethyl(3-hydroxypropyl)amino]-1,2-thiazole-4-carboxamide has a molecular weight of 284.38 g/mol, XLogP of 0.83, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-cyclopropyl-5-[ethyl(3-hydroxypropyl)amino]-1,2-thiazole-4-carboxamide is sourced from PubChem (CID 103384359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).