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

C18H18N2O2S2 — CID 1348974

IUPACN-[4-(4-methoxyphenyl)-5-propyl-1,3-thiazol-2-yl]thiophene-2-carboxamide
SMILESCCCc1sc(NC(=O)c2cccs2)nc1-c1ccc(OC)cc1
InChIInChI=1S/C18H18N2O2S2/c1-3-5-14-16(12-7-9-13(22-2)10-8-12)19-18(24-14)20-17(21)15-6-4-11-23-15/h4,6-11H,3,5H2,1-2H3,(H,19,20,21)
InChIKeyYGOGOALFGYSAPI-UHFFFAOYSA-N
MW358.49 g/mol
LogP5.09
Rot. Bonds6

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

N-[4-(4-methoxyphenyl)-5-propyl-1,3-thiazol-2-yl]thiophene-2-carboxamide (PubChem CID 1348974) has the molecular formula C18H18N2O2S2 and a molecular weight of 358.49 g/mol. Its IUPAC name is N-[4-(4-methoxyphenyl)-5-propyl-1,3-thiazol-2-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[4-(4-methoxyphenyl)-5-propyl-1,3-thiazol-2-yl]thiophene-2-carboxamide
PubChem CID1348974
Molecular FormulaC18H18N2O2S2
Molecular Weight358.49 g/mol
Exact Mass358.08
IUPAC NameN-[4-(4-methoxyphenyl)-5-propyl-1,3-thiazol-2-yl]thiophene-2-carboxamide
SMILESCCCc1sc(NC(=O)c2cccs2)nc1-c1ccc(OC)cc1
InChIInChI=1S/C18H18N2O2S2/c1-3-5-14-16(12-7-9-13(22-2)10-8-12)19-18(24-14)20-17(21)15-6-4-11-23-15/h4,6-11H,3,5H2,1-2H3,(H,19,20,21)
InChIKeyYGOGOALFGYSAPI-UHFFFAOYSA-N
XLogP5.09
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.49
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-(4-methoxyphenyl)-4-phenyl-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 2281805
4-methyl-N-[4-(4-methylphenyl)-5-propyl-1,3-thiazol-2-yl]benzamide
CID 1338053
3-(methanesulfonamido)-N-[4-(4-methoxyphenyl)-5-propyl-1,3-thiazol-2-yl]propanamide
CID 156586306
N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-5-methyl-4-propylthiophene-2-carboxamide
CID 7916066
N-[4-(4-fluorophenyl)-5-propyl-1,3-thiazol-2-yl]-4-(4-methoxyphenyl)-4-oxobutanamide
CID 126206369
N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 3151931
N-[4-(4-methoxyphenyl)-5-propyl-1,3-thiazol-2-yl]benzenesulfonamide
CID 163248367
N-[4-(4-methoxyphenyl)-5-propyl-1,3-thiazol-2-yl]-6-oxopiperidine-3-carboxamide
CID 157015729
4-tert-butyl-N-[4-(4-phenylphenyl)-5-propyl-1,3-thiazol-2-yl]benzamide
CID 4061770
2-phenoxy-N-[4-(4-phenylphenyl)-5-propyl-1,3-thiazol-2-yl]acetamide
CID 3568889
ethyl 4-(4-methoxyphenyl)-5-methyl-2-(thiophene-2-carbonylamino)thiophene-3-carboxylate
CID 1047804
N-[4-(4-fluorophenyl)-5-propyl-1,3-thiazol-2-yl]-2-methylbenzamide
CID 1347127

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methoxyphenyl)-5-propyl-1,3-thiazol-2-yl]thiophene-2-carboxamide?
The IUPAC name of N-[4-(4-methoxyphenyl)-5-propyl-1,3-thiazol-2-yl]thiophene-2-carboxamide (CID 1348974) is N-[4-(4-methoxyphenyl)-5-propyl-1,3-thiazol-2-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[4-(4-methoxyphenyl)-5-propyl-1,3-thiazol-2-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[4-(4-methoxyphenyl)-5-propyl-1,3-thiazol-2-yl]thiophene-2-carboxamide is CCCc1sc(NC(=O)c2cccs2)nc1-c1ccc(OC)cc1.
What is the InChIKey of N-[4-(4-methoxyphenyl)-5-propyl-1,3-thiazol-2-yl]thiophene-2-carboxamide?
The InChIKey is YGOGOALFGYSAPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2S2/c1-3-5-14-16(12-7-9-13(22-2)10-8-12)19-18(24-14)20-17(21)15-6-4-11-23-15/h4,6-11H,3,5H2,1-2H3,(H,19,20,21).
What are the key properties of N-[4-(4-methoxyphenyl)-5-propyl-1,3-thiazol-2-yl]thiophene-2-carboxamide?
N-[4-(4-methoxyphenyl)-5-propyl-1,3-thiazol-2-yl]thiophene-2-carboxamide has a molecular weight of 358.49 g/mol, XLogP of 5.09, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methoxyphenyl)-5-propyl-1,3-thiazol-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 1348974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).