N-[2-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]thiophene-2-carboxamide

C18H18N2O2S2 — CID 7202380

IUPACN-[2-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]thiophene-2-carboxamide
SMILESCOc1ccc(-c2nc(C)c(CCNC(=O)c3cccs3)s2)cc1
InChIInChI=1S/C18H18N2O2S2/c1-12-15(9-10-19-17(21)16-4-3-11-23-16)24-18(20-12)13-5-7-14(22-2)8-6-13/h3-8,11H,9-10H2,1-2H3,(H,19,21)
InChIKeyORQJFYZUCFPVKO-UHFFFAOYSA-N
MW358.49 g/mol
LogP4.16
Rot. Bonds6

About N-[2-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]thiophene-2-carboxamide

N-[2-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]thiophene-2-carboxamide (PubChem CID 7202380) has the molecular formula C18H18N2O2S2 and a molecular weight of 358.49 g/mol. Its IUPAC name is N-[2-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]thiophene-2-carboxamide
PubChem CID7202380
Molecular FormulaC18H18N2O2S2
Molecular Weight358.49 g/mol
Exact Mass358.08
IUPAC NameN-[2-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]thiophene-2-carboxamide
SMILESCOc1ccc(-c2nc(C)c(CCNC(=O)c3cccs3)s2)cc1
InChIInChI=1S/C18H18N2O2S2/c1-12-15(9-10-19-17(21)16-4-3-11-23-16)24-18(20-12)13-5-7-14(22-2)8-6-13/h3-8,11H,9-10H2,1-2H3,(H,19,21)
InChIKeyORQJFYZUCFPVKO-UHFFFAOYSA-N
XLogP4.16
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.49
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 862702
2-(2-methoxyphenyl)-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]acetamide
CID 2738815
N-(4-methoxyphenyl)-2,5-dimethyl-1-(2-thienylmethyl)-1H-pyrrole-3-carboxamide
CID 2742293
4-methoxy-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 852133
2-Acetylaminomethyl-4,5-bis(4-methoxyphenyl)thiazole
CID 10044540
N-[[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]-2-phenylsulfanylacetamide
CID 10050685
N-[[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]-2-methylsulfanylacetamide
CID 10364476
5-Thiazolecarboxamide, 2-(4-methoxyphenyl)-4-methyl-
CID 3068075
3-[2-(4-Methoxyphenyl)-1,3-thiazol-4-yl]-1,2-dihydroquinolin-2-one
CID 22638602
Thiophene-2-carboxylic acid (3-diethylamino-propyl)-[4-(4-methoxy-phenyl)-thiazol-2-yl]-amide
CID 653546
N-[4-(1,3-benzothiazol-2-yl)benzyl]-4-methoxybenzamide
CID 979778
N-(2-(2-(4-methoxyphenyl)thiazol-4-yl)ethyl)thiophene-2-carboxamide
CID 7119205

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]thiophene-2-carboxamide (CID 7202380) is N-[2-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]thiophene-2-carboxamide is COc1ccc(-c2nc(C)c(CCNC(=O)c3cccs3)s2)cc1.
What is the InChIKey of N-[2-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]thiophene-2-carboxamide?
The InChIKey is ORQJFYZUCFPVKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2S2/c1-12-15(9-10-19-17(21)16-4-3-11-23-16)24-18(20-12)13-5-7-14(22-2)8-6-13/h3-8,11H,9-10H2,1-2H3,(H,19,21).
What are the key properties of N-[2-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]thiophene-2-carboxamide?
N-[2-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]thiophene-2-carboxamide has a molecular weight of 358.49 g/mol, XLogP of 4.16, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 7202380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).