2,4-dimethyl-N-[2-(4-methylpentan-2-yl)thiophen-3-yl]-1,3-thiazole-5-carboxamide

C16H22N2OS2 — CID 23508220

IUPAC2,4-dimethyl-N-[2-(4-methylpentan-2-yl)thiophen-3-yl]-1,3-thiazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)Nc2ccsc2C(C)CC(C)C)s1
InChIInChI=1S/C16H22N2OS2/c1-9(2)8-10(3)14-13(6-7-20-14)18-16(19)15-11(4)17-12(5)21-15/h6-7,9-10H,8H2,1-5H3,(H,18,19)
InChIKeyUYUYIXJCDAYTMF-UHFFFAOYSA-N
MW322.50 g/mol
LogP5.22
Rot. Bonds5

About 2,4-dimethyl-N-[2-(4-methylpentan-2-yl)thiophen-3-yl]-1,3-thiazole-5-carboxamide

2,4-dimethyl-N-[2-(4-methylpentan-2-yl)thiophen-3-yl]-1,3-thiazole-5-carboxamide (PubChem CID 23508220) has the molecular formula C16H22N2OS2 and a molecular weight of 322.50 g/mol. Its IUPAC name is 2,4-dimethyl-N-[2-(4-methylpentan-2-yl)thiophen-3-yl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2,4-dimethyl-N-[2-(4-methylpentan-2-yl)thiophen-3-yl]-1,3-thiazole-5-carboxamide
PubChem CID23508220
Molecular FormulaC16H22N2OS2
Molecular Weight322.50 g/mol
Exact Mass322.12
IUPAC Name2,4-dimethyl-N-[2-(4-methylpentan-2-yl)thiophen-3-yl]-1,3-thiazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)Nc2ccsc2C(C)CC(C)C)s1
InChIInChI=1S/C16H22N2OS2/c1-9(2)8-10(3)14-13(6-7-20-14)18-16(19)15-11(4)17-12(5)21-15/h6-7,9-10H,8H2,1-5H3,(H,18,19)
InChIKeyUYUYIXJCDAYTMF-UHFFFAOYSA-N
XLogP5.22
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.50
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-[2-(4-methylpentan-2-yl)thiophen-3-yl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2,4-dimethyl-N-[2-(4-methylpentan-2-yl)thiophen-3-yl]-1,3-thiazole-5-carboxamide (CID 23508220) is 2,4-dimethyl-N-[2-(4-methylpentan-2-yl)thiophen-3-yl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2,4-dimethyl-N-[2-(4-methylpentan-2-yl)thiophen-3-yl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2,4-dimethyl-N-[2-(4-methylpentan-2-yl)thiophen-3-yl]-1,3-thiazole-5-carboxamide is Cc1nc(C)c(C(=O)Nc2ccsc2C(C)CC(C)C)s1.
What is the InChIKey of 2,4-dimethyl-N-[2-(4-methylpentan-2-yl)thiophen-3-yl]-1,3-thiazole-5-carboxamide?
The InChIKey is UYUYIXJCDAYTMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2OS2/c1-9(2)8-10(3)14-13(6-7-20-14)18-16(19)15-11(4)17-12(5)21-15/h6-7,9-10H,8H2,1-5H3,(H,18,19).
What are the key properties of 2,4-dimethyl-N-[2-(4-methylpentan-2-yl)thiophen-3-yl]-1,3-thiazole-5-carboxamide?
2,4-dimethyl-N-[2-(4-methylpentan-2-yl)thiophen-3-yl]-1,3-thiazole-5-carboxamide has a molecular weight of 322.50 g/mol, XLogP of 5.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-[2-(4-methylpentan-2-yl)thiophen-3-yl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 23508220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).