N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-4-(2-oxopyrrolidin-1-yl)benzamide

C19H17N3O2S2 — CID 26116653

IUPACN-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-4-(2-oxopyrrolidin-1-yl)benzamide
SMILESCSc1nc2ccc(NC(=O)c3ccc(N4CCCC4=O)cc3)cc2s1
InChIInChI=1S/C19H17N3O2S2/c1-25-19-21-15-9-6-13(11-16(15)26-19)20-18(24)12-4-7-14(8-5-12)22-10-2-3-17(22)23/h4-9,11H,2-3,10H2,1H3,(H,20,24)
InChIKeyDTKYIENIVNMLFJ-UHFFFAOYSA-N
MW383.50 g/mol
LogP4.40
Rot. Bonds4

About N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-4-(2-oxopyrrolidin-1-yl)benzamide

N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-4-(2-oxopyrrolidin-1-yl)benzamide (PubChem CID 26116653) has the molecular formula C19H17N3O2S2 and a molecular weight of 383.50 g/mol. Its IUPAC name is N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-4-(2-oxopyrrolidin-1-yl)benzamide.

Molecular Properties

Compound NameN-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-4-(2-oxopyrrolidin-1-yl)benzamide
PubChem CID26116653
Molecular FormulaC19H17N3O2S2
Molecular Weight383.50 g/mol
Exact Mass383.08
IUPAC NameN-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-4-(2-oxopyrrolidin-1-yl)benzamide
SMILESCSc1nc2ccc(NC(=O)c3ccc(N4CCCC4=O)cc3)cc2s1
InChIInChI=1S/C19H17N3O2S2/c1-25-19-21-15-9-6-13(11-16(15)26-19)20-18(24)12-4-7-14(8-5-12)22-10-2-3-17(22)23/h4-9,11H,2-3,10H2,1H3,(H,20,24)
InChIKeyDTKYIENIVNMLFJ-UHFFFAOYSA-N
XLogP4.40
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.50
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 23965445
N-[2-[(2-methyl-1,3-benzothiazol-6-yl)amino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 9319832
N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)benzamide
CID 959118
4-acetamido-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 78788340
3,5-dichloro-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)benzamide
CID 43952428
N-(4-methoxyphenyl)-4-(2-oxopyrrolidin-1-yl)benzamide
CID 9412020
N-(3-oxo-4H-1,4-benzothiazin-6-yl)-4-(2-oxopyrrolidin-1-yl)benzamide
CID 37014872
methyl 4-[[4-(2-oxopyrrolidin-1-yl)phenyl]carbamoyl]benzoate
CID 8747295
N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-4-(2-oxopiperidin-1-yl)benzamide
CID 18204867
4-(carbamoylamino)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 26127679
N-(2-cyclobutyl-3H-benzimidazol-5-yl)-4-(2-oxopyrrolidin-1-yl)benzamide
CID 60613246
N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide
CID 17462651

Frequently Asked Questions

What is the IUPAC name of N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-4-(2-oxopyrrolidin-1-yl)benzamide?
The IUPAC name of N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-4-(2-oxopyrrolidin-1-yl)benzamide (CID 26116653) is N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-4-(2-oxopyrrolidin-1-yl)benzamide.
What is the SMILES notation for N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-4-(2-oxopyrrolidin-1-yl)benzamide?
The canonical SMILES for N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-4-(2-oxopyrrolidin-1-yl)benzamide is CSc1nc2ccc(NC(=O)c3ccc(N4CCCC4=O)cc3)cc2s1.
What is the InChIKey of N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-4-(2-oxopyrrolidin-1-yl)benzamide?
The InChIKey is DTKYIENIVNMLFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O2S2/c1-25-19-21-15-9-6-13(11-16(15)26-19)20-18(24)12-4-7-14(8-5-12)22-10-2-3-17(22)23/h4-9,11H,2-3,10H2,1H3,(H,20,24).
What are the key properties of N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-4-(2-oxopyrrolidin-1-yl)benzamide?
N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-4-(2-oxopyrrolidin-1-yl)benzamide has a molecular weight of 383.50 g/mol, XLogP of 4.40, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-4-(2-oxopyrrolidin-1-yl)benzamide is sourced from PubChem (CID 26116653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).