2-amino-N-[(1-propan-2-ylimidazol-2-yl)methyl]-1,3-thiazole-5-carboxamide

C11H15N5OS — CID 122557442

IUPAC2-amino-N-[(1-propan-2-ylimidazol-2-yl)methyl]-1,3-thiazole-5-carboxamide
SMILESCC(C)n1ccnc1CNC(=O)c1cnc(N)s1
InChIInChI=1S/C11H15N5OS/c1-7(2)16-4-3-13-9(16)6-14-10(17)8-5-15-11(12)18-8/h3-5,7H,6H2,1-2H3,(H2,12,15)(H,14,17)
InChIKeyTYPGNYAACXUIFC-UHFFFAOYSA-N
MW265.34 g/mol
LogP1.43
Rot. Bonds4

About 2-amino-N-[(1-propan-2-ylimidazol-2-yl)methyl]-1,3-thiazole-5-carboxamide

2-amino-N-[(1-propan-2-ylimidazol-2-yl)methyl]-1,3-thiazole-5-carboxamide (PubChem CID 122557442) has the molecular formula C11H15N5OS and a molecular weight of 265.34 g/mol. Its IUPAC name is 2-amino-N-[(1-propan-2-ylimidazol-2-yl)methyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-amino-N-[(1-propan-2-ylimidazol-2-yl)methyl]-1,3-thiazole-5-carboxamide
PubChem CID122557442
Molecular FormulaC11H15N5OS
Molecular Weight265.34 g/mol
Exact Mass265.10
IUPAC Name2-amino-N-[(1-propan-2-ylimidazol-2-yl)methyl]-1,3-thiazole-5-carboxamide
SMILESCC(C)n1ccnc1CNC(=O)c1cnc(N)s1
InChIInChI=1S/C11H15N5OS/c1-7(2)16-4-3-13-9(16)6-14-10(17)8-5-15-11(12)18-8/h3-5,7H,6H2,1-2H3,(H2,12,15)(H,14,17)
InChIKeyTYPGNYAACXUIFC-UHFFFAOYSA-N
XLogP1.43
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(methylamino)-N-[(1-propan-2-ylimidazol-2-yl)methyl]-1,3-thiazole-4-carboxamide
CID 122563881
2-(2-methoxyethoxy)-N-[(1-propan-2-ylimidazol-2-yl)methyl]acetamide
CID 91790838
2-amino-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide
CID 82171914
2-amino-N-(2-methoxyethyl)-1,3-thiazole-5-carboxamide
CID 82171902
(2S)-3-methyl-2-[(1-propan-2-ylimidazol-2-yl)methylamino]butan-1-ol
CID 75501743
2-amino-6-(5-methylfuran-2-yl)-N-[(1-propan-2-ylimidazol-2-yl)methyl]pyrimidine-4-carboxamide
CID 44520985
1-(1-methyltriazol-4-yl)-3-[(1-propan-2-ylimidazol-2-yl)methyl]urea
CID 72905357
2-[(1S)-2,2-difluorocyclopropyl]-N-[(1-propan-2-ylimidazol-2-yl)methyl]acetamide
CID 125438130
5-bromo-N-[(1-methylimidazol-2-yl)methyl]thiophene-2-carboxamide
CID 63236222
2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(1-propan-2-ylimidazol-2-yl)methyl]acetamide
CID 136662014
2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]acetamide
CID 71883563
2-amino-N-[(1-methylimidazol-2-yl)methyl]-1,3-thiazole-4-carboxamide
CID 63293629

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(1-propan-2-ylimidazol-2-yl)methyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-amino-N-[(1-propan-2-ylimidazol-2-yl)methyl]-1,3-thiazole-5-carboxamide (CID 122557442) is 2-amino-N-[(1-propan-2-ylimidazol-2-yl)methyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-amino-N-[(1-propan-2-ylimidazol-2-yl)methyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-amino-N-[(1-propan-2-ylimidazol-2-yl)methyl]-1,3-thiazole-5-carboxamide is CC(C)n1ccnc1CNC(=O)c1cnc(N)s1.
What is the InChIKey of 2-amino-N-[(1-propan-2-ylimidazol-2-yl)methyl]-1,3-thiazole-5-carboxamide?
The InChIKey is TYPGNYAACXUIFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5OS/c1-7(2)16-4-3-13-9(16)6-14-10(17)8-5-15-11(12)18-8/h3-5,7H,6H2,1-2H3,(H2,12,15)(H,14,17).
What are the key properties of 2-amino-N-[(1-propan-2-ylimidazol-2-yl)methyl]-1,3-thiazole-5-carboxamide?
2-amino-N-[(1-propan-2-ylimidazol-2-yl)methyl]-1,3-thiazole-5-carboxamide has a molecular weight of 265.34 g/mol, XLogP of 1.43, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(1-propan-2-ylimidazol-2-yl)methyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 122557442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).