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

C14H17N3O2S — CID 65349358

IUPAC2-amino-N-(2-hydroxycyclohexyl)-1,3-benzothiazole-6-carboxamide
SMILESNc1nc2ccc(C(=O)NC3CCCCC3O)cc2s1
InChIInChI=1S/C14H17N3O2S/c15-14-17-10-6-5-8(7-12(10)20-14)13(19)16-9-3-1-2-4-11(9)18/h5-7,9,11,18H,1-4H2,(H2,15,17)(H,16,19)
InChIKeyFWKXOKHJWYJQBH-UHFFFAOYSA-N
MW291.38 g/mol
LogP1.91
Rot. Bonds2

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

2-amino-N-(2-hydroxycyclohexyl)-1,3-benzothiazole-6-carboxamide (PubChem CID 65349358) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is 2-amino-N-(2-hydroxycyclohexyl)-1,3-benzothiazole-6-carboxamide.

Molecular Properties

Compound Name2-amino-N-(2-hydroxycyclohexyl)-1,3-benzothiazole-6-carboxamide
PubChem CID65349358
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC Name2-amino-N-(2-hydroxycyclohexyl)-1,3-benzothiazole-6-carboxamide
SMILESNc1nc2ccc(C(=O)NC3CCCCC3O)cc2s1
InChIInChI=1S/C14H17N3O2S/c15-14-17-10-6-5-8(7-12(10)20-14)13(19)16-9-3-1-2-4-11(9)18/h5-7,9,11,18H,1-4H2,(H2,15,17)(H,16,19)
InChIKeyFWKXOKHJWYJQBH-UHFFFAOYSA-N
XLogP1.91
TPSA88.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 51.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-hydroxycyclohexyl)-1,3-benzothiazole-6-carboxamide?
The IUPAC name of 2-amino-N-(2-hydroxycyclohexyl)-1,3-benzothiazole-6-carboxamide (CID 65349358) is 2-amino-N-(2-hydroxycyclohexyl)-1,3-benzothiazole-6-carboxamide.
What is the SMILES notation for 2-amino-N-(2-hydroxycyclohexyl)-1,3-benzothiazole-6-carboxamide?
The canonical SMILES for 2-amino-N-(2-hydroxycyclohexyl)-1,3-benzothiazole-6-carboxamide is Nc1nc2ccc(C(=O)NC3CCCCC3O)cc2s1.
What is the InChIKey of 2-amino-N-(2-hydroxycyclohexyl)-1,3-benzothiazole-6-carboxamide?
The InChIKey is FWKXOKHJWYJQBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S/c15-14-17-10-6-5-8(7-12(10)20-14)13(19)16-9-3-1-2-4-11(9)18/h5-7,9,11,18H,1-4H2,(H2,15,17)(H,16,19).
What are the key properties of 2-amino-N-(2-hydroxycyclohexyl)-1,3-benzothiazole-6-carboxamide?
2-amino-N-(2-hydroxycyclohexyl)-1,3-benzothiazole-6-carboxamide has a molecular weight of 291.38 g/mol, XLogP of 1.91, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-hydroxycyclohexyl)-1,3-benzothiazole-6-carboxamide is sourced from PubChem (CID 65349358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).