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

C12H14N4OS — CID 103381354

IUPAC3-amino-5-[benzyl(methyl)amino]-1,2-thiazole-4-carboxamide
SMILESCN(Cc1ccccc1)c1snc(N)c1C(N)=O
InChIInChI=1S/C12H14N4OS/c1-16(7-8-5-3-2-4-6-8)12-9(11(14)17)10(13)15-18-12/h2-6H,7H2,1H3,(H2,13,15)(H2,14,17)
InChIKeyJAJHIQNBAPIEEN-UHFFFAOYSA-N
MW262.34 g/mol
LogP1.46
Rot. Bonds4

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

3-amino-5-[benzyl(methyl)amino]-1,2-thiazole-4-carboxamide (PubChem CID 103381354) has the molecular formula C12H14N4OS and a molecular weight of 262.34 g/mol. Its IUPAC name is 3-amino-5-[benzyl(methyl)amino]-1,2-thiazole-4-carboxamide.

Molecular Properties

Compound Name3-amino-5-[benzyl(methyl)amino]-1,2-thiazole-4-carboxamide
PubChem CID103381354
Molecular FormulaC12H14N4OS
Molecular Weight262.34 g/mol
Exact Mass262.09
IUPAC Name3-amino-5-[benzyl(methyl)amino]-1,2-thiazole-4-carboxamide
SMILESCN(Cc1ccccc1)c1snc(N)c1C(N)=O
InChIInChI=1S/C12H14N4OS/c1-16(7-8-5-3-2-4-6-8)12-9(11(14)17)10(13)15-18-12/h2-6H,7H2,1H3,(H2,13,15)(H2,14,17)
InChIKeyJAJHIQNBAPIEEN-UHFFFAOYSA-N
XLogP1.46
TPSA85.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.34
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-[benzyl(methyl)amino]-1,2-thiazole-4-carboxamide?
The IUPAC name of 3-amino-5-[benzyl(methyl)amino]-1,2-thiazole-4-carboxamide (CID 103381354) is 3-amino-5-[benzyl(methyl)amino]-1,2-thiazole-4-carboxamide.
What is the SMILES notation for 3-amino-5-[benzyl(methyl)amino]-1,2-thiazole-4-carboxamide?
The canonical SMILES for 3-amino-5-[benzyl(methyl)amino]-1,2-thiazole-4-carboxamide is CN(Cc1ccccc1)c1snc(N)c1C(N)=O.
What is the InChIKey of 3-amino-5-[benzyl(methyl)amino]-1,2-thiazole-4-carboxamide?
The InChIKey is JAJHIQNBAPIEEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4OS/c1-16(7-8-5-3-2-4-6-8)12-9(11(14)17)10(13)15-18-12/h2-6H,7H2,1H3,(H2,13,15)(H2,14,17).
What are the key properties of 3-amino-5-[benzyl(methyl)amino]-1,2-thiazole-4-carboxamide?
3-amino-5-[benzyl(methyl)amino]-1,2-thiazole-4-carboxamide has a molecular weight of 262.34 g/mol, XLogP of 1.46, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-[benzyl(methyl)amino]-1,2-thiazole-4-carboxamide is sourced from PubChem (CID 103381354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).