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

C17H16N2O2S2 — CID 862702

IUPACN-ethyl-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]thiophene-2-carboxamide
SMILESCCN(C(=O)c1cccs1)c1nc(-c2ccc(OC)cc2)cs1
InChIInChI=1S/C17H16N2O2S2/c1-3-19(16(20)15-5-4-10-22-15)17-18-14(11-23-17)12-6-8-13(21-2)9-7-12/h4-11H,3H2,1-2H3
InChIKeyKTPGQAJYJIEEBR-UHFFFAOYSA-N
MW344.46 g/mol
LogP4.55
Rot. Bonds5

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

N-ethyl-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]thiophene-2-carboxamide (PubChem CID 862702) has the molecular formula C17H16N2O2S2 and a molecular weight of 344.46 g/mol. Its IUPAC name is N-ethyl-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]thiophene-2-carboxamide
PubChem CID862702
Molecular FormulaC17H16N2O2S2
Molecular Weight344.46 g/mol
Exact Mass344.07
IUPAC NameN-ethyl-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]thiophene-2-carboxamide
SMILESCCN(C(=O)c1cccs1)c1nc(-c2ccc(OC)cc2)cs1
InChIInChI=1S/C17H16N2O2S2/c1-3-19(16(20)15-5-4-10-22-15)17-18-14(11-23-17)12-6-8-13(21-2)9-7-12/h4-11H,3H2,1-2H3
InChIKeyKTPGQAJYJIEEBR-UHFFFAOYSA-N
XLogP4.55
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-phenoxyacetamide
CID 1172644
N-[3-(diethylamino)propyl]-4-methoxy-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 3170750
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-N-ethyl-2-methoxybenzamide
CID 22433390
N-benzyl-4-methoxy-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 1172662
N-ethyl-N-(4-phenyl-1,3-thiazol-2-yl)pyridine-4-carboxamide
CID 861592
N-(furan-2-ylmethyl)-N-(4-phenyl-1,3-thiazol-2-yl)thiophene-2-carboxamide
CID 1139483
N-(1,3-benzothiazol-2-yl)-N-ethylthiophene-2-carboxamide
CID 43022086
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N-ethyl-2-fluorobenzamide
CID 1175983
4-fluoro-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-N-(2-methylpropyl)benzamide
CID 1172758
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N-(oxolan-2-ylmethyl)thiophene-2-carboxamide
CID 3189646
2-(4-methoxyphenyl)-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylacetamide
CID 2675972
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3,5-dimethoxy-N-propylbenzamide
CID 22433180

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]thiophene-2-carboxamide?
The IUPAC name of N-ethyl-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]thiophene-2-carboxamide (CID 862702) is N-ethyl-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-ethyl-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]thiophene-2-carboxamide?
The canonical SMILES for N-ethyl-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]thiophene-2-carboxamide is CCN(C(=O)c1cccs1)c1nc(-c2ccc(OC)cc2)cs1.
What is the InChIKey of N-ethyl-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]thiophene-2-carboxamide?
The InChIKey is KTPGQAJYJIEEBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2S2/c1-3-19(16(20)15-5-4-10-22-15)17-18-14(11-23-17)12-6-8-13(21-2)9-7-12/h4-11H,3H2,1-2H3.
What are the key properties of N-ethyl-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]thiophene-2-carboxamide?
N-ethyl-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]thiophene-2-carboxamide has a molecular weight of 344.46 g/mol, XLogP of 4.55, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 862702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).