5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)thiophene-2-carboxamide

C17H17N3O2S2 — CID 4732588

IUPAC5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)thiophene-2-carboxamide
SMILESCc1noc(C)c1-c1ccc(C(=O)Nc2nc3c(s2)CCCC3)s1
InChIInChI=1S/C17H17N3O2S2/c1-9-15(10(2)22-20-9)13-7-8-14(23-13)16(21)19-17-18-11-5-3-4-6-12(11)24-17/h7-8H,3-6H2,1-2H3,(H,18,19,21)
InChIKeyMIZDBNIPXAUZMD-UHFFFAOYSA-N
MW359.48 g/mol
LogP4.61
Rot. Bonds3

About 5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)thiophene-2-carboxamide

5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)thiophene-2-carboxamide (PubChem CID 4732588) has the molecular formula C17H17N3O2S2 and a molecular weight of 359.48 g/mol. Its IUPAC name is 5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)thiophene-2-carboxamide
PubChem CID4732588
Molecular FormulaC17H17N3O2S2
Molecular Weight359.48 g/mol
Exact Mass359.08
IUPAC Name5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)thiophene-2-carboxamide
SMILESCc1noc(C)c1-c1ccc(C(=O)Nc2nc3c(s2)CCCC3)s1
InChIInChI=1S/C17H17N3O2S2/c1-9-15(10(2)22-20-9)13-7-8-14(23-13)16(21)19-17-18-11-5-3-4-6-12(11)24-17/h7-8H,3-6H2,1-2H3,(H,18,19,21)
InChIKeyMIZDBNIPXAUZMD-UHFFFAOYSA-N
XLogP4.61
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.48
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)thiophene-2-carboxamide
CID 17191257
5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4-propan-2-ylphenyl)thiophene-2-carboxamide
CID 4732524
5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-methylphenyl)thiophene-2-carboxamide
CID 4732571
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 33040958
4,6-dimethyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrimidine-2-carboxamide
CID 146080268
N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1,2-oxazole-5-carboxamide
CID 18587212
N-(4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[d][1,3]thiazol-2-yl)acetamide
CID 930096
N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 112807865
1-[(5-ethyl-3-methyl-1,2-oxazol-4-yl)methyl]-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)urea
CID 138027518
4-bromo-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide
CID 3715134
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)benzamide
CID 5140427
4-tert-butyl-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)benzamide
CID 3595429

Frequently Asked Questions

What is the IUPAC name of 5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)thiophene-2-carboxamide?
The IUPAC name of 5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)thiophene-2-carboxamide (CID 4732588) is 5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)thiophene-2-carboxamide.
What is the SMILES notation for 5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)thiophene-2-carboxamide?
The canonical SMILES for 5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)thiophene-2-carboxamide is Cc1noc(C)c1-c1ccc(C(=O)Nc2nc3c(s2)CCCC3)s1.
What is the InChIKey of 5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)thiophene-2-carboxamide?
The InChIKey is MIZDBNIPXAUZMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2S2/c1-9-15(10(2)22-20-9)13-7-8-14(23-13)16(21)19-17-18-11-5-3-4-6-12(11)24-17/h7-8H,3-6H2,1-2H3,(H,18,19,21).
What are the key properties of 5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)thiophene-2-carboxamide?
5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)thiophene-2-carboxamide has a molecular weight of 359.48 g/mol, XLogP of 4.61, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)thiophene-2-carboxamide is sourced from PubChem (CID 4732588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).