2-amino-N-(thiolan-3-yl)-1,3-benzothiazole-6-carboxamide

C12H13N3OS2 — CID 103063030

IUPAC2-amino-N-(thiolan-3-yl)-1,3-benzothiazole-6-carboxamide
SMILESNc1nc2ccc(C(=O)NC3CCSC3)cc2s1
InChIInChI=1S/C12H13N3OS2/c13-12-15-9-2-1-7(5-10(9)18-12)11(16)14-8-3-4-17-6-8/h1-2,5,8H,3-4,6H2,(H2,13,15)(H,14,16)
InChIKeyHDAONMQLUGQWLV-UHFFFAOYSA-N
MW279.39 g/mol
LogP2.11
Rot. Bonds2

About 2-amino-N-(thiolan-3-yl)-1,3-benzothiazole-6-carboxamide

2-amino-N-(thiolan-3-yl)-1,3-benzothiazole-6-carboxamide (PubChem CID 103063030) has the molecular formula C12H13N3OS2 and a molecular weight of 279.39 g/mol. Its IUPAC name is 2-amino-N-(thiolan-3-yl)-1,3-benzothiazole-6-carboxamide.

Molecular Properties

Compound Name2-amino-N-(thiolan-3-yl)-1,3-benzothiazole-6-carboxamide
PubChem CID103063030
Molecular FormulaC12H13N3OS2
Molecular Weight279.39 g/mol
Exact Mass279.05
IUPAC Name2-amino-N-(thiolan-3-yl)-1,3-benzothiazole-6-carboxamide
SMILESNc1nc2ccc(C(=O)NC3CCSC3)cc2s1
InChIInChI=1S/C12H13N3OS2/c13-12-15-9-2-1-7(5-10(9)18-12)11(16)14-8-3-4-17-6-8/h1-2,5,8H,3-4,6H2,(H2,13,15)(H,14,16)
InChIKeyHDAONMQLUGQWLV-UHFFFAOYSA-N
XLogP2.11
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

cis-(1R,3S)-3-[(2-amino-1,3-benzothiazole-6-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 106322796
2-amino-N-(2-hydroxycyclohexyl)-1,3-benzothiazole-6-carboxamide
CID 65349358
2-amino-N-(3-ethylcyclohexyl)-1,3-benzothiazole-6-carboxamide
CID 65349702
2-[(2-amino-1,3-benzothiazole-6-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 65349750
2-amino-N-(2,4-dimethylcyclohexyl)-1,3-benzothiazole-6-carboxamide
CID 65349652
2-amino-N-(2-ethylcyclohexyl)-1,3-benzothiazole-6-carboxamide
CID 65349674
2-amino-N-carbamoyl-1,3-benzothiazole-6-carboxamide
CID 79195134
3-[(E)-N'-hydroxycarbamimidoyl]-N-(thiolan-3-yl)benzamide
CID 103064332
3-fluoro-N-(thiolan-3-yl)benzamide
CID 126773687
N-(2-acetamidoethyl)-2-amino-1,3-benzothiazole-6-carboxamide
CID 60636547
2-amino-N-pyrimidin-2-yl-1,3-benzothiazole-6-carboxamide
CID 60719150
2-amino-N-(5-amino-5-oxopentyl)-1,3-benzothiazole-6-carboxamide
CID 106236061

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(thiolan-3-yl)-1,3-benzothiazole-6-carboxamide?
The IUPAC name of 2-amino-N-(thiolan-3-yl)-1,3-benzothiazole-6-carboxamide (CID 103063030) is 2-amino-N-(thiolan-3-yl)-1,3-benzothiazole-6-carboxamide.
What is the SMILES notation for 2-amino-N-(thiolan-3-yl)-1,3-benzothiazole-6-carboxamide?
The canonical SMILES for 2-amino-N-(thiolan-3-yl)-1,3-benzothiazole-6-carboxamide is Nc1nc2ccc(C(=O)NC3CCSC3)cc2s1.
What is the InChIKey of 2-amino-N-(thiolan-3-yl)-1,3-benzothiazole-6-carboxamide?
The InChIKey is HDAONMQLUGQWLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3OS2/c13-12-15-9-2-1-7(5-10(9)18-12)11(16)14-8-3-4-17-6-8/h1-2,5,8H,3-4,6H2,(H2,13,15)(H,14,16).
What are the key properties of 2-amino-N-(thiolan-3-yl)-1,3-benzothiazole-6-carboxamide?
2-amino-N-(thiolan-3-yl)-1,3-benzothiazole-6-carboxamide has a molecular weight of 279.39 g/mol, XLogP of 2.11, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(thiolan-3-yl)-1,3-benzothiazole-6-carboxamide is sourced from PubChem (CID 103063030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).