5-methyl-N-propan-2-yl-1,2-benzothiazole-3-carboxamide

C12H14N2OS — CID 53015464

IUPAC5-methyl-N-propan-2-yl-1,2-benzothiazole-3-carboxamide
SMILESCc1ccc2snc(C(=O)NC(C)C)c2c1
InChIInChI=1S/C12H14N2OS/c1-7(2)13-12(15)11-9-6-8(3)4-5-10(9)16-14-11/h4-7H,1-3H3,(H,13,15)
InChIKeyAAIRELFQAKASMN-UHFFFAOYSA-N
MW234.32 g/mol
LogP2.74
Rot. Bonds2

About 5-methyl-N-propan-2-yl-1,2-benzothiazole-3-carboxamide

5-methyl-N-propan-2-yl-1,2-benzothiazole-3-carboxamide (PubChem CID 53015464) has the molecular formula C12H14N2OS and a molecular weight of 234.32 g/mol. Its IUPAC name is 5-methyl-N-propan-2-yl-1,2-benzothiazole-3-carboxamide.

Molecular Properties

Compound Name5-methyl-N-propan-2-yl-1,2-benzothiazole-3-carboxamide
PubChem CID53015464
Molecular FormulaC12H14N2OS
Molecular Weight234.32 g/mol
Exact Mass234.08
IUPAC Name5-methyl-N-propan-2-yl-1,2-benzothiazole-3-carboxamide
SMILESCc1ccc2snc(C(=O)NC(C)C)c2c1
InChIInChI=1S/C12H14N2OS/c1-7(2)13-12(15)11-9-6-8(3)4-5-10(9)16-14-11/h4-7H,1-3H3,(H,13,15)
InChIKeyAAIRELFQAKASMN-UHFFFAOYSA-N
XLogP2.74
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-propan-2-yl-1,2-benzothiazole-3-carboxamide?
The IUPAC name of 5-methyl-N-propan-2-yl-1,2-benzothiazole-3-carboxamide (CID 53015464) is 5-methyl-N-propan-2-yl-1,2-benzothiazole-3-carboxamide.
What is the SMILES notation for 5-methyl-N-propan-2-yl-1,2-benzothiazole-3-carboxamide?
The canonical SMILES for 5-methyl-N-propan-2-yl-1,2-benzothiazole-3-carboxamide is Cc1ccc2snc(C(=O)NC(C)C)c2c1.
What is the InChIKey of 5-methyl-N-propan-2-yl-1,2-benzothiazole-3-carboxamide?
The InChIKey is AAIRELFQAKASMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2OS/c1-7(2)13-12(15)11-9-6-8(3)4-5-10(9)16-14-11/h4-7H,1-3H3,(H,13,15).
What are the key properties of 5-methyl-N-propan-2-yl-1,2-benzothiazole-3-carboxamide?
5-methyl-N-propan-2-yl-1,2-benzothiazole-3-carboxamide has a molecular weight of 234.32 g/mol, XLogP of 2.74, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-propan-2-yl-1,2-benzothiazole-3-carboxamide is sourced from PubChem (CID 53015464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).