N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)thiophene-2-carboxamide

C15H14N2O2S2 — CID 100550008

IUPACN-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)thiophene-2-carboxamide
SMILESCC(C)n1c(=O)sc2cc(NC(=O)c3cccs3)ccc21
InChIInChI=1S/C15H14N2O2S2/c1-9(2)17-11-6-5-10(8-13(11)21-15(17)19)16-14(18)12-4-3-7-20-12/h3-9H,1-2H3,(H,16,18)
InChIKeyWZYKQUNHZGODPP-UHFFFAOYSA-N
MW318.42 g/mol
LogP3.96
Rot. Bonds3

About N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)thiophene-2-carboxamide

N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)thiophene-2-carboxamide (PubChem CID 100550008) has the molecular formula C15H14N2O2S2 and a molecular weight of 318.42 g/mol. Its IUPAC name is N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)thiophene-2-carboxamide
PubChem CID100550008
Molecular FormulaC15H14N2O2S2
Molecular Weight318.42 g/mol
Exact Mass318.05
IUPAC NameN-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)thiophene-2-carboxamide
SMILESCC(C)n1c(=O)sc2cc(NC(=O)c3cccs3)ccc21
InChIInChI=1S/C15H14N2O2S2/c1-9(2)17-11-6-5-10(8-13(11)21-15(17)19)16-14(18)12-4-3-7-20-12/h3-9H,1-2H3,(H,16,18)
InChIKeyWZYKQUNHZGODPP-UHFFFAOYSA-N
XLogP3.96
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)thiophene-2-carboxamide
CID 22577324
3-methoxy-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)naphthalene-2-carboxamide
CID 100557188
1-(2-methoxyphenyl)-3-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)urea
CID 100561516
3-chloro-4-methoxy-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)benzamide
CID 100560387
2-methyl-3-[methyl(methylsulfonyl)amino]-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)benzamide
CID 100559378
N-(3-hydroxy-4-methylphenyl)thiophene-2-carboxamide
CID 64794383
2-naphthalen-1-yloxy-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)propanamide
CID 133244800
(2S)-2-(4-chlorophenyl)sulfanyl-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)propanamide
CID 100549627
N-(2-methyl-1,3-benzothiazol-5-yl)thiophene-2-carboxamide
CID 110442376
4-(benzenesulfonamido)-3-methyl-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)benzamide
CID 100554168
4-(imidazol-1-ylmethyl)-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)benzamide
CID 100560722
4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)benzamide
CID 100549816

Frequently Asked Questions

What is the IUPAC name of N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)thiophene-2-carboxamide?
The IUPAC name of N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)thiophene-2-carboxamide (CID 100550008) is N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)thiophene-2-carboxamide.
What is the SMILES notation for N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)thiophene-2-carboxamide?
The canonical SMILES for N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)thiophene-2-carboxamide is CC(C)n1c(=O)sc2cc(NC(=O)c3cccs3)ccc21.
What is the InChIKey of N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)thiophene-2-carboxamide?
The InChIKey is WZYKQUNHZGODPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2S2/c1-9(2)17-11-6-5-10(8-13(11)21-15(17)19)16-14(18)12-4-3-7-20-12/h3-9H,1-2H3,(H,16,18).
What are the key properties of N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)thiophene-2-carboxamide?
N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)thiophene-2-carboxamide has a molecular weight of 318.42 g/mol, XLogP of 3.96, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)thiophene-2-carboxamide is sourced from PubChem (CID 100550008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).