2-methyl-N-(4-propan-2-ylphenyl)-1,3-benzothiazole-5-carboxamide

C18H18N2OS — CID 69268312

IUPAC2-methyl-N-(4-propan-2-ylphenyl)-1,3-benzothiazole-5-carboxamide
SMILESCc1nc2cc(C(=O)Nc3ccc(C(C)C)cc3)ccc2s1
InChIInChI=1S/C18H18N2OS/c1-11(2)13-4-7-15(8-5-13)20-18(21)14-6-9-17-16(10-14)19-12(3)22-17/h4-11H,1-3H3,(H,20,21)
InChIKeyXHNIAWXMFRKXJL-UHFFFAOYSA-N
MW310.42 g/mol
LogP4.98
Rot. Bonds3

About 2-methyl-N-(4-propan-2-ylphenyl)-1,3-benzothiazole-5-carboxamide

2-methyl-N-(4-propan-2-ylphenyl)-1,3-benzothiazole-5-carboxamide (PubChem CID 69268312) has the molecular formula C18H18N2OS and a molecular weight of 310.42 g/mol. Its IUPAC name is 2-methyl-N-(4-propan-2-ylphenyl)-1,3-benzothiazole-5-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(4-propan-2-ylphenyl)-1,3-benzothiazole-5-carboxamide
PubChem CID69268312
Molecular FormulaC18H18N2OS
Molecular Weight310.42 g/mol
Exact Mass310.11
IUPAC Name2-methyl-N-(4-propan-2-ylphenyl)-1,3-benzothiazole-5-carboxamide
SMILESCc1nc2cc(C(=O)Nc3ccc(C(C)C)cc3)ccc2s1
InChIInChI=1S/C18H18N2OS/c1-11(2)13-4-7-15(8-5-13)20-18(21)14-6-9-17-16(10-14)19-12(3)22-17/h4-11H,1-3H3,(H,20,21)
InChIKeyXHNIAWXMFRKXJL-UHFFFAOYSA-N
XLogP4.98
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-fluoro-4-methyl-N-(2-methyl-1,3-benzothiazol-5-yl)benzamide
CID 11301035
N-(4-propan-2-ylphenyl)-2,1,3-benzothiadiazole-5-carboxamide
CID 17274164
N-(4-propan-2-ylphenyl)-2H-benzotriazole-5-carboxamide
CID 27162728
4-propan-2-yl-N-(4-propan-2-ylphenyl)benzamide
CID 1406437
propan-2-yl 2-methyl-1,3-benzothiazole-5-carboxylate
CID 135395328
2-methyl-N-[2-methyl-5-(propanoylamino)phenyl]-1,3-benzothiazole-5-carboxamide
CID 131921298
1-N,3-N,5-N-tris(4-propan-2-ylphenyl)benzene-1,3,5-tricarboxamide
CID 67992142
N-(2-hydroxyethyl)-2-methyl-1,3-benzothiazole-5-carboxamide
CID 27089017
2-methyl-1,3-benzothiazole-5-carbonyl chloride
CID 45077000
3-methyl-N-(2-methyl-1,3-benzothiazol-5-yl)butanamide
CID 110442147
3-chloro-N-(2-methyl-1,3-benzothiazol-6-yl)benzamide
CID 7915285
N-(4-propan-2-ylphenyl)-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-6-carboxamide
CID 18847662

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(4-propan-2-ylphenyl)-1,3-benzothiazole-5-carboxamide?
The IUPAC name of 2-methyl-N-(4-propan-2-ylphenyl)-1,3-benzothiazole-5-carboxamide (CID 69268312) is 2-methyl-N-(4-propan-2-ylphenyl)-1,3-benzothiazole-5-carboxamide.
What is the SMILES notation for 2-methyl-N-(4-propan-2-ylphenyl)-1,3-benzothiazole-5-carboxamide?
The canonical SMILES for 2-methyl-N-(4-propan-2-ylphenyl)-1,3-benzothiazole-5-carboxamide is Cc1nc2cc(C(=O)Nc3ccc(C(C)C)cc3)ccc2s1.
What is the InChIKey of 2-methyl-N-(4-propan-2-ylphenyl)-1,3-benzothiazole-5-carboxamide?
The InChIKey is XHNIAWXMFRKXJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2OS/c1-11(2)13-4-7-15(8-5-13)20-18(21)14-6-9-17-16(10-14)19-12(3)22-17/h4-11H,1-3H3,(H,20,21).
What are the key properties of 2-methyl-N-(4-propan-2-ylphenyl)-1,3-benzothiazole-5-carboxamide?
2-methyl-N-(4-propan-2-ylphenyl)-1,3-benzothiazole-5-carboxamide has a molecular weight of 310.42 g/mol, XLogP of 4.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(4-propan-2-ylphenyl)-1,3-benzothiazole-5-carboxamide is sourced from PubChem (CID 69268312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).