N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-N-methylthiophene-2-carboxamide

C16H14N2O2S2 — CID 862691

IUPACN-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-N-methylthiophene-2-carboxamide
SMILESCOc1ccc(-c2csc(N(C)C(=O)c3cccs3)n2)cc1
InChIInChI=1S/C16H14N2O2S2/c1-18(15(19)14-4-3-9-21-14)16-17-13(10-22-16)11-5-7-12(20-2)8-6-11/h3-10H,1-2H3
InChIKeyNNBVZMDRXKUPNH-UHFFFAOYSA-N
MW330.43 g/mol
LogP4.16
Rot. Bonds4

About N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-N-methylthiophene-2-carboxamide

N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-N-methylthiophene-2-carboxamide (PubChem CID 862691) has the molecular formula C16H14N2O2S2 and a molecular weight of 330.43 g/mol. Its IUPAC name is N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-N-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-N-methylthiophene-2-carboxamide
PubChem CID862691
Molecular FormulaC16H14N2O2S2
Molecular Weight330.43 g/mol
Exact Mass330.05
IUPAC NameN-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-N-methylthiophene-2-carboxamide
SMILESCOc1ccc(-c2csc(N(C)C(=O)c3cccs3)n2)cc1
InChIInChI=1S/C16H14N2O2S2/c1-18(15(19)14-4-3-9-21-14)16-17-13(10-22-16)11-5-7-12(20-2)8-6-11/h3-10H,1-2H3
InChIKeyNNBVZMDRXKUPNH-UHFFFAOYSA-N
XLogP4.16
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-N-methylthiophene-2-carboxamide?
The IUPAC name of N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-N-methylthiophene-2-carboxamide (CID 862691) is N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-N-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-N-methylthiophene-2-carboxamide?
The canonical SMILES for N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-N-methylthiophene-2-carboxamide is COc1ccc(-c2csc(N(C)C(=O)c3cccs3)n2)cc1.
What is the InChIKey of N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-N-methylthiophene-2-carboxamide?
The InChIKey is NNBVZMDRXKUPNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2S2/c1-18(15(19)14-4-3-9-21-14)16-17-13(10-22-16)11-5-7-12(20-2)8-6-11/h3-10H,1-2H3.
What are the key properties of N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-N-methylthiophene-2-carboxamide?
N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-N-methylthiophene-2-carboxamide has a molecular weight of 330.43 g/mol, XLogP of 4.16, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-N-methylthiophene-2-carboxamide is sourced from PubChem (CID 862691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).