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

C10H13N5OS — CID 62789282

IUPAC2-amino-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1,3-thiazole-4-carboxamide
SMILESCN(Cc1cnn(C)c1)C(=O)c1csc(N)n1
InChIInChI=1S/C10H13N5OS/c1-14(4-7-3-12-15(2)5-7)9(16)8-6-17-10(11)13-8/h3,5-6H,4H2,1-2H3,(H2,11,13)
InChIKeyQKDRSQRZTYMFKO-UHFFFAOYSA-N
MW251.31 g/mol
LogP0.73
Rot. Bonds3

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

2-amino-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1,3-thiazole-4-carboxamide (PubChem CID 62789282) has the molecular formula C10H13N5OS and a molecular weight of 251.31 g/mol. Its IUPAC name is 2-amino-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-amino-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1,3-thiazole-4-carboxamide
PubChem CID62789282
Molecular FormulaC10H13N5OS
Molecular Weight251.31 g/mol
Exact Mass251.08
IUPAC Name2-amino-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1,3-thiazole-4-carboxamide
SMILESCN(Cc1cnn(C)c1)C(=O)c1csc(N)n1
InChIInChI=1S/C10H13N5OS/c1-14(4-7-3-12-15(2)5-7)9(16)8-6-17-10(11)13-8/h3,5-6H,4H2,1-2H3,(H2,11,13)
InChIKeyQKDRSQRZTYMFKO-UHFFFAOYSA-N
XLogP0.73
TPSA77.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.31
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-aminoethyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1,3-thiazole-4-carboxamide
CID 66390430
N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-(4-propan-2-ylphenyl)-1,3-thiazole-4-carboxamide
CID 36821843
2-amino-N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-1,3-thiazole-4-carboxamide
CID 62786857
3,5-diamino-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 61139345
1-methyl-1-[(1-methylpyrazol-4-yl)methyl]urea
CID 60703151
2-amino-N,2-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]propanamide
CID 61265030
N-methyl-3-(4-methylphenyl)-N-[(1-methylpyrazol-4-yl)methyl]thiophene-2-carboxamide
CID 51266547
2-amino-N-methyl-N-[(3-methylthiophen-2-yl)methyl]-1,3-thiazole-4-carboxamide
CID 62787544
4-amino-N,3-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 54905633
2-(2-amino-1,3-thiazol-4-yl)-N-[(1-methylpyrazol-4-yl)methyl]acetamide
CID 55119886
N-methyl-5-(methylamino)-N-[(1-methylpyrazol-4-yl)methyl]pyridine-2-carboxamide
CID 104640906
2-amino-N-[3-(dimethylamino)propyl]-N-methyl-1,3-thiazole-4-carboxamide
CID 63692953

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-amino-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1,3-thiazole-4-carboxamide (CID 62789282) is 2-amino-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-amino-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-amino-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1,3-thiazole-4-carboxamide is CN(Cc1cnn(C)c1)C(=O)c1csc(N)n1.
What is the InChIKey of 2-amino-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1,3-thiazole-4-carboxamide?
The InChIKey is QKDRSQRZTYMFKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5OS/c1-14(4-7-3-12-15(2)5-7)9(16)8-6-17-10(11)13-8/h3,5-6H,4H2,1-2H3,(H2,11,13).
What are the key properties of 2-amino-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1,3-thiazole-4-carboxamide?
2-amino-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1,3-thiazole-4-carboxamide has a molecular weight of 251.31 g/mol, XLogP of 0.73, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 62789282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).