N-methyl-4-[2-[(4-methylpyrimidin-2-yl)amino]-1,3-thiazol-4-yl]-1H-pyrazole-5-carboxamide

C13H13N7OS — CID 56644914

IUPACN-methyl-4-[2-[(4-methylpyrimidin-2-yl)amino]-1,3-thiazol-4-yl]-1H-pyrazole-5-carboxamide
SMILESCNC(=O)c1[nH]ncc1-c1csc(Nc2nccc(C)n2)n1
InChIInChI=1S/C13H13N7OS/c1-7-3-4-15-12(17-7)19-13-18-9(6-22-13)8-5-16-20-10(8)11(21)14-2/h3-6H,1-2H3,(H,14,21)(H,16,20)(H,15,17,18,19)
InChIKeyXSYXICKARKVHTF-UHFFFAOYSA-N
MW315.36 g/mol
LogP1.73
Rot. Bonds4

About N-methyl-4-[2-[(4-methylpyrimidin-2-yl)amino]-1,3-thiazol-4-yl]-1H-pyrazole-5-carboxamide

N-methyl-4-[2-[(4-methylpyrimidin-2-yl)amino]-1,3-thiazol-4-yl]-1H-pyrazole-5-carboxamide (PubChem CID 56644914) has the molecular formula C13H13N7OS and a molecular weight of 315.36 g/mol. Its IUPAC name is N-methyl-4-[2-[(4-methylpyrimidin-2-yl)amino]-1,3-thiazol-4-yl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-methyl-4-[2-[(4-methylpyrimidin-2-yl)amino]-1,3-thiazol-4-yl]-1H-pyrazole-5-carboxamide
PubChem CID56644914
Molecular FormulaC13H13N7OS
Molecular Weight315.36 g/mol
Exact Mass315.09
IUPAC NameN-methyl-4-[2-[(4-methylpyrimidin-2-yl)amino]-1,3-thiazol-4-yl]-1H-pyrazole-5-carboxamide
SMILESCNC(=O)c1[nH]ncc1-c1csc(Nc2nccc(C)n2)n1
InChIInChI=1S/C13H13N7OS/c1-7-3-4-15-12(17-7)19-13-18-9(6-22-13)8-5-16-20-10(8)11(21)14-2/h3-6H,1-2H3,(H,14,21)(H,16,20)(H,15,17,18,19)
InChIKeyXSYXICKARKVHTF-UHFFFAOYSA-N
XLogP1.73
TPSA108.48 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.36
LogP ≤ 51.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[2-[(4-methylpyrimidin-2-yl)amino]-1,3-thiazol-4-yl]-1H-pyrazole-5-carboxamide?
The IUPAC name of N-methyl-4-[2-[(4-methylpyrimidin-2-yl)amino]-1,3-thiazol-4-yl]-1H-pyrazole-5-carboxamide (CID 56644914) is N-methyl-4-[2-[(4-methylpyrimidin-2-yl)amino]-1,3-thiazol-4-yl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-methyl-4-[2-[(4-methylpyrimidin-2-yl)amino]-1,3-thiazol-4-yl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-methyl-4-[2-[(4-methylpyrimidin-2-yl)amino]-1,3-thiazol-4-yl]-1H-pyrazole-5-carboxamide is CNC(=O)c1[nH]ncc1-c1csc(Nc2nccc(C)n2)n1.
What is the InChIKey of N-methyl-4-[2-[(4-methylpyrimidin-2-yl)amino]-1,3-thiazol-4-yl]-1H-pyrazole-5-carboxamide?
The InChIKey is XSYXICKARKVHTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N7OS/c1-7-3-4-15-12(17-7)19-13-18-9(6-22-13)8-5-16-20-10(8)11(21)14-2/h3-6H,1-2H3,(H,14,21)(H,16,20)(H,15,17,18,19).
What are the key properties of N-methyl-4-[2-[(4-methylpyrimidin-2-yl)amino]-1,3-thiazol-4-yl]-1H-pyrazole-5-carboxamide?
N-methyl-4-[2-[(4-methylpyrimidin-2-yl)amino]-1,3-thiazol-4-yl]-1H-pyrazole-5-carboxamide has a molecular weight of 315.36 g/mol, XLogP of 1.73, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[2-[(4-methylpyrimidin-2-yl)amino]-1,3-thiazol-4-yl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 56644914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).