2-amino-N-[(1-methylimidazol-2-yl)methyl]-1,3-thiazole-4-carboxamide

C9H11N5OS — CID 63293629

IUPAC2-amino-N-[(1-methylimidazol-2-yl)methyl]-1,3-thiazole-4-carboxamide
SMILESCn1ccnc1CNC(=O)c1csc(N)n1
InChIInChI=1S/C9H11N5OS/c1-14-3-2-11-7(14)4-12-8(15)6-5-16-9(10)13-6/h2-3,5H,4H2,1H3,(H2,10,13)(H,12,15)
InChIKeyYAOLAFXKDGYDIZ-UHFFFAOYSA-N
MW237.29 g/mol
LogP0.39
Rot. Bonds3

About 2-amino-N-[(1-methylimidazol-2-yl)methyl]-1,3-thiazole-4-carboxamide

2-amino-N-[(1-methylimidazol-2-yl)methyl]-1,3-thiazole-4-carboxamide (PubChem CID 63293629) has the molecular formula C9H11N5OS and a molecular weight of 237.29 g/mol. Its IUPAC name is 2-amino-N-[(1-methylimidazol-2-yl)methyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-amino-N-[(1-methylimidazol-2-yl)methyl]-1,3-thiazole-4-carboxamide
PubChem CID63293629
Molecular FormulaC9H11N5OS
Molecular Weight237.29 g/mol
Exact Mass237.07
IUPAC Name2-amino-N-[(1-methylimidazol-2-yl)methyl]-1,3-thiazole-4-carboxamide
SMILESCn1ccnc1CNC(=O)c1csc(N)n1
InChIInChI=1S/C9H11N5OS/c1-14-3-2-11-7(14)4-12-8(15)6-5-16-9(10)13-6/h2-3,5H,4H2,1H3,(H2,10,13)(H,12,15)
InChIKeyYAOLAFXKDGYDIZ-UHFFFAOYSA-N
XLogP0.39
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.29
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(1-methylimidazol-2-yl)methyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-amino-N-[(1-methylimidazol-2-yl)methyl]-1,3-thiazole-4-carboxamide (CID 63293629) is 2-amino-N-[(1-methylimidazol-2-yl)methyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-amino-N-[(1-methylimidazol-2-yl)methyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-amino-N-[(1-methylimidazol-2-yl)methyl]-1,3-thiazole-4-carboxamide is Cn1ccnc1CNC(=O)c1csc(N)n1.
What is the InChIKey of 2-amino-N-[(1-methylimidazol-2-yl)methyl]-1,3-thiazole-4-carboxamide?
The InChIKey is YAOLAFXKDGYDIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5OS/c1-14-3-2-11-7(14)4-12-8(15)6-5-16-9(10)13-6/h2-3,5H,4H2,1H3,(H2,10,13)(H,12,15).
What are the key properties of 2-amino-N-[(1-methylimidazol-2-yl)methyl]-1,3-thiazole-4-carboxamide?
2-amino-N-[(1-methylimidazol-2-yl)methyl]-1,3-thiazole-4-carboxamide has a molecular weight of 237.29 g/mol, XLogP of 0.39, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(1-methylimidazol-2-yl)methyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 63293629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).