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

C14H14N4OS2 — CID 31848358

IUPACN-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
SMILESCN(Cc1cnn(C)c1)C(=O)c1csc(-c2ccsc2)n1
InChIInChI=1S/C14H14N4OS2/c1-17(6-10-5-15-18(2)7-10)14(19)12-9-21-13(16-12)11-3-4-20-8-11/h3-5,7-9H,6H2,1-2H3
InChIKeyMWKHXANIFBTTIE-UHFFFAOYSA-N
MW318.43 g/mol
LogP2.88
Rot. Bonds4

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

N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide (PubChem CID 31848358) has the molecular formula C14H14N4OS2 and a molecular weight of 318.43 g/mol. Its IUPAC name is N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
PubChem CID31848358
Molecular FormulaC14H14N4OS2
Molecular Weight318.43 g/mol
Exact Mass318.06
IUPAC NameN-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
SMILESCN(Cc1cnn(C)c1)C(=O)c1csc(-c2ccsc2)n1
InChIInChI=1S/C14H14N4OS2/c1-17(6-10-5-15-18(2)7-10)14(19)12-9-21-13(16-12)11-3-4-20-8-11/h3-5,7-9H,6H2,1-2H3
InChIKeyMWKHXANIFBTTIE-UHFFFAOYSA-N
XLogP2.88
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.43
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide (CID 31848358) is N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide is CN(Cc1cnn(C)c1)C(=O)c1csc(-c2ccsc2)n1.
What is the InChIKey of N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide?
The InChIKey is MWKHXANIFBTTIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4OS2/c1-17(6-10-5-15-18(2)7-10)14(19)12-9-21-13(16-12)11-3-4-20-8-11/h3-5,7-9H,6H2,1-2H3.
What are the key properties of N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide?
N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide has a molecular weight of 318.43 g/mol, XLogP of 2.88, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 31848358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).