1-methyl-3-N,5-N-bis(5-methyl-1,3-thiazol-2-yl)pyrazole-3,5-dicarboxamide

C14H14N6O2S2 — CID 29097368

IUPAC1-methyl-3-N,5-N-bis(5-methyl-1,3-thiazol-2-yl)pyrazole-3,5-dicarboxamide
SMILESCc1cnc(NC(=O)c2cc(C(=O)Nc3ncc(C)s3)n(C)n2)s1
InChIInChI=1S/C14H14N6O2S2/c1-7-5-15-13(23-7)17-11(21)9-4-10(20(3)19-9)12(22)18-14-16-6-8(2)24-14/h4-6H,1-3H3,(H,15,17,21)(H,16,18,22)
InChIKeyPOCNZIJZYJZFEW-UHFFFAOYSA-N
MW362.44 g/mol
LogP2.45
Rot. Bonds4

About 1-methyl-3-N,5-N-bis(5-methyl-1,3-thiazol-2-yl)pyrazole-3,5-dicarboxamide

1-methyl-3-N,5-N-bis(5-methyl-1,3-thiazol-2-yl)pyrazole-3,5-dicarboxamide (PubChem CID 29097368) has the molecular formula C14H14N6O2S2 and a molecular weight of 362.44 g/mol. Its IUPAC name is 1-methyl-3-N,5-N-bis(5-methyl-1,3-thiazol-2-yl)pyrazole-3,5-dicarboxamide.

Molecular Properties

Compound Name1-methyl-3-N,5-N-bis(5-methyl-1,3-thiazol-2-yl)pyrazole-3,5-dicarboxamide
PubChem CID29097368
Molecular FormulaC14H14N6O2S2
Molecular Weight362.44 g/mol
Exact Mass362.06
IUPAC Name1-methyl-3-N,5-N-bis(5-methyl-1,3-thiazol-2-yl)pyrazole-3,5-dicarboxamide
SMILESCc1cnc(NC(=O)c2cc(C(=O)Nc3ncc(C)s3)n(C)n2)s1
InChIInChI=1S/C14H14N6O2S2/c1-7-5-15-13(23-7)17-11(21)9-4-10(20(3)19-9)12(22)18-14-16-6-8(2)24-14/h4-6H,1-3H3,(H,15,17,21)(H,16,18,22)
InChIKeyPOCNZIJZYJZFEW-UHFFFAOYSA-N
XLogP2.45
TPSA101.80 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.44
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-N,5-N-bis(5-methyl-1,3-thiazol-2-yl)pyrazole-3,5-dicarboxamide?
The IUPAC name of 1-methyl-3-N,5-N-bis(5-methyl-1,3-thiazol-2-yl)pyrazole-3,5-dicarboxamide (CID 29097368) is 1-methyl-3-N,5-N-bis(5-methyl-1,3-thiazol-2-yl)pyrazole-3,5-dicarboxamide.
What is the SMILES notation for 1-methyl-3-N,5-N-bis(5-methyl-1,3-thiazol-2-yl)pyrazole-3,5-dicarboxamide?
The canonical SMILES for 1-methyl-3-N,5-N-bis(5-methyl-1,3-thiazol-2-yl)pyrazole-3,5-dicarboxamide is Cc1cnc(NC(=O)c2cc(C(=O)Nc3ncc(C)s3)n(C)n2)s1.
What is the InChIKey of 1-methyl-3-N,5-N-bis(5-methyl-1,3-thiazol-2-yl)pyrazole-3,5-dicarboxamide?
The InChIKey is POCNZIJZYJZFEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N6O2S2/c1-7-5-15-13(23-7)17-11(21)9-4-10(20(3)19-9)12(22)18-14-16-6-8(2)24-14/h4-6H,1-3H3,(H,15,17,21)(H,16,18,22).
What are the key properties of 1-methyl-3-N,5-N-bis(5-methyl-1,3-thiazol-2-yl)pyrazole-3,5-dicarboxamide?
1-methyl-3-N,5-N-bis(5-methyl-1,3-thiazol-2-yl)pyrazole-3,5-dicarboxamide has a molecular weight of 362.44 g/mol, XLogP of 2.45, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-N,5-N-bis(5-methyl-1,3-thiazol-2-yl)pyrazole-3,5-dicarboxamide is sourced from PubChem (CID 29097368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).