2-(methylamino)-N-[(1-propan-2-ylimidazol-2-yl)methyl]-1,3-thiazole-4-carboxamide

C12H17N5OS — CID 122563881

IUPAC2-(methylamino)-N-[(1-propan-2-ylimidazol-2-yl)methyl]-1,3-thiazole-4-carboxamide
SMILESCNc1nc(C(=O)NCc2nccn2C(C)C)cs1
InChIInChI=1S/C12H17N5OS/c1-8(2)17-5-4-14-10(17)6-15-11(18)9-7-19-12(13-3)16-9/h4-5,7-8H,6H2,1-3H3,(H,13,16)(H,15,18)
InChIKeyJPRDBPDIGWBUMF-UHFFFAOYSA-N
MW279.37 g/mol
LogP1.89
Rot. Bonds5

About 2-(methylamino)-N-[(1-propan-2-ylimidazol-2-yl)methyl]-1,3-thiazole-4-carboxamide

2-(methylamino)-N-[(1-propan-2-ylimidazol-2-yl)methyl]-1,3-thiazole-4-carboxamide (PubChem CID 122563881) has the molecular formula C12H17N5OS and a molecular weight of 279.37 g/mol. Its IUPAC name is 2-(methylamino)-N-[(1-propan-2-ylimidazol-2-yl)methyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(methylamino)-N-[(1-propan-2-ylimidazol-2-yl)methyl]-1,3-thiazole-4-carboxamide
PubChem CID122563881
Molecular FormulaC12H17N5OS
Molecular Weight279.37 g/mol
Exact Mass279.12
IUPAC Name2-(methylamino)-N-[(1-propan-2-ylimidazol-2-yl)methyl]-1,3-thiazole-4-carboxamide
SMILESCNc1nc(C(=O)NCc2nccn2C(C)C)cs1
InChIInChI=1S/C12H17N5OS/c1-8(2)17-5-4-14-10(17)6-15-11(18)9-7-19-12(13-3)16-9/h4-5,7-8H,6H2,1-3H3,(H,13,16)(H,15,18)
InChIKeyJPRDBPDIGWBUMF-UHFFFAOYSA-N
XLogP1.89
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.37
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-N-[(1-methylimidazol-2-yl)methyl]-1,3-thiazole-4-carboxamide
CID 63293629
2-amino-N-[(1-propan-2-ylimidazol-2-yl)methyl]-1,3-thiazole-5-carboxamide
CID 122557442
2-(2-aminoethyl)-N-[(1-methylimidazol-2-yl)methyl]-1,3-thiazole-4-carboxamide
CID 66390133
N-[(2S)-1-hydroxypropan-2-yl]-2-(methylamino)-1,3-thiazole-4-carboxamide
CID 130708869
2-methyl-1-[2-(methylamino)-1,3-thiazol-4-yl]propan-1-one
CID 89257366
2-(2-methoxyethoxy)-N-[(1-propan-2-ylimidazol-2-yl)methyl]acetamide
CID 91790838
2-(methylamino)-N-[(1-methylimidazol-2-yl)-phenylmethyl]-1,3-thiazole-4-carboxamide
CID 77084721
2-amino-6-(5-methylfuran-2-yl)-N-[(1-propan-2-ylimidazol-2-yl)methyl]pyrimidine-4-carboxamide
CID 44520985
N-(2-methylpropyl)-2-(pyrimidin-2-ylamino)-1,3-thiazole-4-carboxamide
CID 90505942
N-ethoxy-2-(methylamino)-1,3-thiazole-4-carboxamide
CID 131203421
(2S)-3-methyl-2-[(1-propan-2-ylimidazol-2-yl)methylamino]butan-1-ol
CID 75501743
2-[1-[(1-methylimidazol-2-yl)methylcarbamoylamino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 66373388

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-N-[(1-propan-2-ylimidazol-2-yl)methyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(methylamino)-N-[(1-propan-2-ylimidazol-2-yl)methyl]-1,3-thiazole-4-carboxamide (CID 122563881) is 2-(methylamino)-N-[(1-propan-2-ylimidazol-2-yl)methyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(methylamino)-N-[(1-propan-2-ylimidazol-2-yl)methyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(methylamino)-N-[(1-propan-2-ylimidazol-2-yl)methyl]-1,3-thiazole-4-carboxamide is CNc1nc(C(=O)NCc2nccn2C(C)C)cs1.
What is the InChIKey of 2-(methylamino)-N-[(1-propan-2-ylimidazol-2-yl)methyl]-1,3-thiazole-4-carboxamide?
The InChIKey is JPRDBPDIGWBUMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5OS/c1-8(2)17-5-4-14-10(17)6-15-11(18)9-7-19-12(13-3)16-9/h4-5,7-8H,6H2,1-3H3,(H,13,16)(H,15,18).
What are the key properties of 2-(methylamino)-N-[(1-propan-2-ylimidazol-2-yl)methyl]-1,3-thiazole-4-carboxamide?
2-(methylamino)-N-[(1-propan-2-ylimidazol-2-yl)methyl]-1,3-thiazole-4-carboxamide has a molecular weight of 279.37 g/mol, XLogP of 1.89, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-N-[(1-propan-2-ylimidazol-2-yl)methyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 122563881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).