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

C11H18N4O2S — CID 114231035

IUPAC3-amino-N-cyclopropyl-5-[3-hydroxypropyl(methyl)amino]-1,2-thiazole-4-carboxamide
SMILESCN(CCCO)c1snc(N)c1C(=O)NC1CC1
InChIInChI=1S/C11H18N4O2S/c1-15(5-2-6-16)11-8(9(12)14-18-11)10(17)13-7-3-4-7/h7,16H,2-6H2,1H3,(H2,12,14)(H,13,17)
InChIKeyBLYPRTKBNQCIEF-UHFFFAOYSA-N
MW270.36 g/mol
LogP0.44
Rot. Bonds6

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

3-amino-N-cyclopropyl-5-[3-hydroxypropyl(methyl)amino]-1,2-thiazole-4-carboxamide (PubChem CID 114231035) has the molecular formula C11H18N4O2S and a molecular weight of 270.36 g/mol. Its IUPAC name is 3-amino-N-cyclopropyl-5-[3-hydroxypropyl(methyl)amino]-1,2-thiazole-4-carboxamide.

Molecular Properties

Compound Name3-amino-N-cyclopropyl-5-[3-hydroxypropyl(methyl)amino]-1,2-thiazole-4-carboxamide
PubChem CID114231035
Molecular FormulaC11H18N4O2S
Molecular Weight270.36 g/mol
Exact Mass270.12
IUPAC Name3-amino-N-cyclopropyl-5-[3-hydroxypropyl(methyl)amino]-1,2-thiazole-4-carboxamide
SMILESCN(CCCO)c1snc(N)c1C(=O)NC1CC1
InChIInChI=1S/C11H18N4O2S/c1-15(5-2-6-16)11-8(9(12)14-18-11)10(17)13-7-3-4-7/h7,16H,2-6H2,1H3,(H2,12,14)(H,13,17)
InChIKeyBLYPRTKBNQCIEF-UHFFFAOYSA-N
XLogP0.44
TPSA91.48 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 50.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-cyclopropyl-5-[3-hydroxypropyl(methyl)amino]-1,2-thiazole-4-carboxamide?
The IUPAC name of 3-amino-N-cyclopropyl-5-[3-hydroxypropyl(methyl)amino]-1,2-thiazole-4-carboxamide (CID 114231035) is 3-amino-N-cyclopropyl-5-[3-hydroxypropyl(methyl)amino]-1,2-thiazole-4-carboxamide.
What is the SMILES notation for 3-amino-N-cyclopropyl-5-[3-hydroxypropyl(methyl)amino]-1,2-thiazole-4-carboxamide?
The canonical SMILES for 3-amino-N-cyclopropyl-5-[3-hydroxypropyl(methyl)amino]-1,2-thiazole-4-carboxamide is CN(CCCO)c1snc(N)c1C(=O)NC1CC1.
What is the InChIKey of 3-amino-N-cyclopropyl-5-[3-hydroxypropyl(methyl)amino]-1,2-thiazole-4-carboxamide?
The InChIKey is BLYPRTKBNQCIEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2S/c1-15(5-2-6-16)11-8(9(12)14-18-11)10(17)13-7-3-4-7/h7,16H,2-6H2,1H3,(H2,12,14)(H,13,17).
What are the key properties of 3-amino-N-cyclopropyl-5-[3-hydroxypropyl(methyl)amino]-1,2-thiazole-4-carboxamide?
3-amino-N-cyclopropyl-5-[3-hydroxypropyl(methyl)amino]-1,2-thiazole-4-carboxamide has a molecular weight of 270.36 g/mol, XLogP of 0.44, 6 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-[3-hydroxypropyl(methyl)amino]-1,2-thiazole-4-carboxamide is sourced from PubChem (CID 114231035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).