N-(2-cyclopropyl-1,3-benzothiazol-6-yl)-1,3-thiazolidine-4-carboxamide

C14H15N3OS2 — CID 119306490

IUPACN-(2-cyclopropyl-1,3-benzothiazol-6-yl)-1,3-thiazolidine-4-carboxamide
SMILESO=C(Nc1ccc2nc(C3CC3)sc2c1)C1CSCN1
InChIInChI=1S/C14H15N3OS2/c18-13(11-6-19-7-15-11)16-9-3-4-10-12(5-9)20-14(17-10)8-1-2-8/h3-5,8,11,15H,1-2,6-7H2,(H,16,18)
InChIKeyUHJHJZHOGGXWRD-UHFFFAOYSA-N
MW305.43 g/mol
LogP2.77
Rot. Bonds3

About N-(2-cyclopropyl-1,3-benzothiazol-6-yl)-1,3-thiazolidine-4-carboxamide

N-(2-cyclopropyl-1,3-benzothiazol-6-yl)-1,3-thiazolidine-4-carboxamide (PubChem CID 119306490) has the molecular formula C14H15N3OS2 and a molecular weight of 305.43 g/mol. Its IUPAC name is N-(2-cyclopropyl-1,3-benzothiazol-6-yl)-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-cyclopropyl-1,3-benzothiazol-6-yl)-1,3-thiazolidine-4-carboxamide
PubChem CID119306490
Molecular FormulaC14H15N3OS2
Molecular Weight305.43 g/mol
Exact Mass305.07
IUPAC NameN-(2-cyclopropyl-1,3-benzothiazol-6-yl)-1,3-thiazolidine-4-carboxamide
SMILESO=C(Nc1ccc2nc(C3CC3)sc2c1)C1CSCN1
InChIInChI=1S/C14H15N3OS2/c18-13(11-6-19-7-15-11)16-9-3-4-10-12(5-9)20-14(17-10)8-1-2-8/h3-5,8,11,15H,1-2,6-7H2,(H,16,18)
InChIKeyUHJHJZHOGGXWRD-UHFFFAOYSA-N
XLogP2.77
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.43
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methyl-1,3-benzothiazol-6-yl)-1,3-thiazolidine-4-carboxamide
CID 43702559
N-quinoxalin-6-yl-1,3-thiazolidine-4-carboxamide
CID 54862020
N-(2-cyclopropyl-1,3-benzothiazol-6-yl)-1,1-dioxothiolane-3-carboxamide
CID 75418385
N-cyclooctyl-N'-(2-cyclopropyl-1,3-benzothiazol-6-yl)oxamide
CID 71882814
3-amino-N-(2-cyclopropyl-1,3-benzothiazol-6-yl)propanamide;hydrochloride
CID 119306495
N-pyridin-4-yl-1,3-thiazolidine-4-carboxamide
CID 24692510
N-[4-[6-(1,3-thiazolidine-4-carbonylamino)-1H-benzimidazol-2-yl]phenyl]-1,3-thiazolidine-4-carboxamide
CID 10310566
4-amino-N-(2-cyclopropyl-1,3-benzothiazol-6-yl)butanamide
CID 119306517
N-(3,4-difluorophenyl)-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119263074
N-(3,4-dimethylphenyl)-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 50988129
N-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazolidine-4-carboxamide
CID 24706047
N-[3-(methylcarbamoyl)phenyl]-1,3-thiazolidine-4-carboxamide
CID 61258442

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopropyl-1,3-benzothiazol-6-yl)-1,3-thiazolidine-4-carboxamide?
The IUPAC name of N-(2-cyclopropyl-1,3-benzothiazol-6-yl)-1,3-thiazolidine-4-carboxamide (CID 119306490) is N-(2-cyclopropyl-1,3-benzothiazol-6-yl)-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for N-(2-cyclopropyl-1,3-benzothiazol-6-yl)-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for N-(2-cyclopropyl-1,3-benzothiazol-6-yl)-1,3-thiazolidine-4-carboxamide is O=C(Nc1ccc2nc(C3CC3)sc2c1)C1CSCN1.
What is the InChIKey of N-(2-cyclopropyl-1,3-benzothiazol-6-yl)-1,3-thiazolidine-4-carboxamide?
The InChIKey is UHJHJZHOGGXWRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3OS2/c18-13(11-6-19-7-15-11)16-9-3-4-10-12(5-9)20-14(17-10)8-1-2-8/h3-5,8,11,15H,1-2,6-7H2,(H,16,18).
What are the key properties of N-(2-cyclopropyl-1,3-benzothiazol-6-yl)-1,3-thiazolidine-4-carboxamide?
N-(2-cyclopropyl-1,3-benzothiazol-6-yl)-1,3-thiazolidine-4-carboxamide has a molecular weight of 305.43 g/mol, XLogP of 2.77, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopropyl-1,3-benzothiazol-6-yl)-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 119306490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).