N-(1,3-benzothiazol-2-ylmethyl)-1,3-thiazolidine-4-carboxamide

C12H13N3OS2 — CID 61248397

IUPACN-(1,3-benzothiazol-2-ylmethyl)-1,3-thiazolidine-4-carboxamide
SMILESO=C(NCc1nc2ccccc2s1)C1CSCN1
InChIInChI=1S/C12H13N3OS2/c16-12(9-6-17-7-14-9)13-5-11-15-8-3-1-2-4-10(8)18-11/h1-4,9,14H,5-7H2,(H,13,16)
InChIKeyNWWSPSBSYCQFIV-UHFFFAOYSA-N
MW279.39 g/mol
LogP1.58
Rot. Bonds3

About N-(1,3-benzothiazol-2-ylmethyl)-1,3-thiazolidine-4-carboxamide

N-(1,3-benzothiazol-2-ylmethyl)-1,3-thiazolidine-4-carboxamide (PubChem CID 61248397) has the molecular formula C12H13N3OS2 and a molecular weight of 279.39 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-ylmethyl)-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-ylmethyl)-1,3-thiazolidine-4-carboxamide
PubChem CID61248397
Molecular FormulaC12H13N3OS2
Molecular Weight279.39 g/mol
Exact Mass279.05
IUPAC NameN-(1,3-benzothiazol-2-ylmethyl)-1,3-thiazolidine-4-carboxamide
SMILESO=C(NCc1nc2ccccc2s1)C1CSCN1
InChIInChI=1S/C12H13N3OS2/c16-12(9-6-17-7-14-9)13-5-11-15-8-3-1-2-4-10(8)18-11/h1-4,9,14H,5-7H2,(H,13,16)
InChIKeyNWWSPSBSYCQFIV-UHFFFAOYSA-N
XLogP1.58
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N-(1,3-benzothiazol-2-ylmethyl)piperidine-2-carboxamide
CID 103808102
N-(1,3-benzothiazol-2-ylmethyl)cyclopropanecarboxamide
CID 18110639
N-(1,3-benzothiazol-2-ylmethyl)-2,2-dichlorocyclopropane-1-carboxamide
CID 78778260
N-(1,3-benzothiazol-2-ylmethyl)-2-hydroxycyclopentane-1-carboxamide
CID 110013892
2-(1,3-benzothiazol-2-ylmethylcarbamoyl)cyclopropane-1-carboxylic acid
CID 54867516
N-(1,3-benzothiazol-2-ylmethyl)piperidine-3-carboxamide;hydrochloride
CID 119269748
1-(1,3-benzothiazol-2-ylmethyl)-3-methylurea
CID 23548661
N-(1,3-benzothiazol-2-ylmethyl)-2-chloro-2,2-difluoroacetamide
CID 86817053
1-amino-N-(1,3-benzothiazol-2-ylmethyl)cyclopropane-1-carboxamide;hydrochloride
CID 119686687
2-amino-N-(1,3-benzothiazol-2-ylmethyl)butanediamide
CID 61247861
(2S,5R)-5-(aminomethyl)-N-(1,3-benzothiazol-2-ylmethyl)oxolane-2-carboxamide
CID 120784128
N-(1,3-benzothiazol-2-ylmethyl)-4-(methylamino)oxolane-3-carboxamide
CID 66266629

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-ylmethyl)-1,3-thiazolidine-4-carboxamide?
The IUPAC name of N-(1,3-benzothiazol-2-ylmethyl)-1,3-thiazolidine-4-carboxamide (CID 61248397) is N-(1,3-benzothiazol-2-ylmethyl)-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-ylmethyl)-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for N-(1,3-benzothiazol-2-ylmethyl)-1,3-thiazolidine-4-carboxamide is O=C(NCc1nc2ccccc2s1)C1CSCN1.
What is the InChIKey of N-(1,3-benzothiazol-2-ylmethyl)-1,3-thiazolidine-4-carboxamide?
The InChIKey is NWWSPSBSYCQFIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3OS2/c16-12(9-6-17-7-14-9)13-5-11-15-8-3-1-2-4-10(8)18-11/h1-4,9,14H,5-7H2,(H,13,16).
What are the key properties of N-(1,3-benzothiazol-2-ylmethyl)-1,3-thiazolidine-4-carboxamide?
N-(1,3-benzothiazol-2-ylmethyl)-1,3-thiazolidine-4-carboxamide has a molecular weight of 279.39 g/mol, XLogP of 1.58, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-ylmethyl)-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 61248397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).