1,5-dimethyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]pyrazole-3-carboxamide

C14H14N4OS2 — CID 2738495

IUPAC1,5-dimethyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]pyrazole-3-carboxamide
SMILESCc1cc(C(=O)NCc2csc(-c3cccs3)n2)nn1C
InChIInChI=1S/C14H14N4OS2/c1-9-6-11(17-18(9)2)13(19)15-7-10-8-21-14(16-10)12-4-3-5-20-12/h3-6,8H,7H2,1-2H3,(H,15,19)
InChIKeyAOJWWSXIJMBFGV-UHFFFAOYSA-N
MW318.43 g/mol
LogP2.84
Rot. Bonds4

About 1,5-dimethyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]pyrazole-3-carboxamide

1,5-dimethyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]pyrazole-3-carboxamide (PubChem CID 2738495) has the molecular formula C14H14N4OS2 and a molecular weight of 318.43 g/mol. Its IUPAC name is 1,5-dimethyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1,5-dimethyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]pyrazole-3-carboxamide
PubChem CID2738495
Molecular FormulaC14H14N4OS2
Molecular Weight318.43 g/mol
Exact Mass318.06
IUPAC Name1,5-dimethyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]pyrazole-3-carboxamide
SMILESCc1cc(C(=O)NCc2csc(-c3cccs3)n2)nn1C
InChIInChI=1S/C14H14N4OS2/c1-9-6-11(17-18(9)2)13(19)15-7-10-8-21-14(16-10)12-4-3-5-20-12/h3-6,8H,7H2,1-2H3,(H,15,19)
InChIKeyAOJWWSXIJMBFGV-UHFFFAOYSA-N
XLogP2.84
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.43
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]pyrazole-3-carboxamide?
The IUPAC name of 1,5-dimethyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]pyrazole-3-carboxamide (CID 2738495) is 1,5-dimethyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]pyrazole-3-carboxamide.
What is the SMILES notation for 1,5-dimethyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]pyrazole-3-carboxamide?
The canonical SMILES for 1,5-dimethyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]pyrazole-3-carboxamide is Cc1cc(C(=O)NCc2csc(-c3cccs3)n2)nn1C.
What is the InChIKey of 1,5-dimethyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]pyrazole-3-carboxamide?
The InChIKey is AOJWWSXIJMBFGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4OS2/c1-9-6-11(17-18(9)2)13(19)15-7-10-8-21-14(16-10)12-4-3-5-20-12/h3-6,8H,7H2,1-2H3,(H,15,19).
What are the key properties of 1,5-dimethyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]pyrazole-3-carboxamide?
1,5-dimethyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]pyrazole-3-carboxamide has a molecular weight of 318.43 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]pyrazole-3-carboxamide is sourced from PubChem (CID 2738495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).