N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-5-methylthiophene-2-carboxamide

C16H17N5OS — CID 2395520

IUPACN-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-5-methylthiophene-2-carboxamide
SMILESCc1cc(C)nc(-n2nc(C)cc2NC(=O)c2ccc(C)s2)n1
InChIInChI=1S/C16H17N5OS/c1-9-7-10(2)18-16(17-9)21-14(8-11(3)20-21)19-15(22)13-6-5-12(4)23-13/h5-8H,1-4H3,(H,19,22)
InChIKeyDTJBNSQIGVWLTH-UHFFFAOYSA-N
MW327.41 g/mol
LogP3.21
Rot. Bonds3

About N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-5-methylthiophene-2-carboxamide

N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-5-methylthiophene-2-carboxamide (PubChem CID 2395520) has the molecular formula C16H17N5OS and a molecular weight of 327.41 g/mol. Its IUPAC name is N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-5-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-5-methylthiophene-2-carboxamide
PubChem CID2395520
Molecular FormulaC16H17N5OS
Molecular Weight327.41 g/mol
Exact Mass327.12
IUPAC NameN-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-5-methylthiophene-2-carboxamide
SMILESCc1cc(C)nc(-n2nc(C)cc2NC(=O)c2ccc(C)s2)n1
InChIInChI=1S/C16H17N5OS/c1-9-7-10(2)18-16(17-9)21-14(8-11(3)20-21)19-15(22)13-6-5-12(4)23-13/h5-8H,1-4H3,(H,19,22)
InChIKeyDTJBNSQIGVWLTH-UHFFFAOYSA-N
XLogP3.21
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-5-methylthiophene-2-carboxamide?
The IUPAC name of N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-5-methylthiophene-2-carboxamide (CID 2395520) is N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-5-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-5-methylthiophene-2-carboxamide?
The canonical SMILES for N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-5-methylthiophene-2-carboxamide is Cc1cc(C)nc(-n2nc(C)cc2NC(=O)c2ccc(C)s2)n1.
What is the InChIKey of N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-5-methylthiophene-2-carboxamide?
The InChIKey is DTJBNSQIGVWLTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5OS/c1-9-7-10(2)18-16(17-9)21-14(8-11(3)20-21)19-15(22)13-6-5-12(4)23-13/h5-8H,1-4H3,(H,19,22).
What are the key properties of N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-5-methylthiophene-2-carboxamide?
N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-5-methylthiophene-2-carboxamide has a molecular weight of 327.41 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-5-methylthiophene-2-carboxamide is sourced from PubChem (CID 2395520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).