2-amino-N-pentyl-N-propan-2-yl-1,3-benzothiazole-6-carboxamide

C16H23N3OS — CID 65349489

IUPAC2-amino-N-pentyl-N-propan-2-yl-1,3-benzothiazole-6-carboxamide
SMILESCCCCCN(C(=O)c1ccc2nc(N)sc2c1)C(C)C
InChIInChI=1S/C16H23N3OS/c1-4-5-6-9-19(11(2)3)15(20)12-7-8-13-14(10-12)21-16(17)18-13/h7-8,10-11H,4-6,9H2,1-3H3,(H2,17,18)
InChIKeyYLMLXCXHKJWSQU-UHFFFAOYSA-N
MW305.45 g/mol
LogP3.92
Rot. Bonds6

About 2-amino-N-pentyl-N-propan-2-yl-1,3-benzothiazole-6-carboxamide

2-amino-N-pentyl-N-propan-2-yl-1,3-benzothiazole-6-carboxamide (PubChem CID 65349489) has the molecular formula C16H23N3OS and a molecular weight of 305.45 g/mol. Its IUPAC name is 2-amino-N-pentyl-N-propan-2-yl-1,3-benzothiazole-6-carboxamide.

Molecular Properties

Compound Name2-amino-N-pentyl-N-propan-2-yl-1,3-benzothiazole-6-carboxamide
PubChem CID65349489
Molecular FormulaC16H23N3OS
Molecular Weight305.45 g/mol
Exact Mass305.16
IUPAC Name2-amino-N-pentyl-N-propan-2-yl-1,3-benzothiazole-6-carboxamide
SMILESCCCCCN(C(=O)c1ccc2nc(N)sc2c1)C(C)C
InChIInChI=1S/C16H23N3OS/c1-4-5-6-9-19(11(2)3)15(20)12-7-8-13-14(10-12)21-16(17)18-13/h7-8,10-11H,4-6,9H2,1-3H3,(H2,17,18)
InChIKeyYLMLXCXHKJWSQU-UHFFFAOYSA-N
XLogP3.92
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.45
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-benzothiazole-6-carboxamide
CID 65349632
4-amino-3-methyl-N-pentyl-N-propan-2-ylbenzamide
CID 54905965
2-amino-N,N-bis(2-methylpropyl)-1,3-benzothiazole-6-carboxamide
CID 60655171
4-amino-N-pentyl-N-propan-2-ylbenzamide
CID 54905871
2-amino-N-ethyl-N-(2-hydroxyethyl)-1,3-benzothiazole-6-carboxamide
CID 60655382
4-amino-N-pentyl-N-propan-2-ylbenzamide;hydrochloride
CID 119723192
3-[(2-amino-1,3-benzothiazole-6-carbonyl)-methylamino]propanoic acid
CID 65349258
2-amino-N-(3-methoxypropyl)-N-methyl-1,3-benzothiazole-6-carboxamide
CID 65349262
2-amino-N-cyclopropyl-N-(2-methylpropyl)-1,3-benzothiazole-6-carboxamide
CID 65349343
2-amino-N-(4-methylpentyl)-1,3-benzothiazole-6-carboxamide
CID 65349539
3-chloro-4-hydroxy-N-pentyl-N-propan-2-ylbenzamide
CID 55001893
6-[[methyl(pentyl)amino]methyl]-1,3-benzothiazol-2-amine
CID 65348699

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-pentyl-N-propan-2-yl-1,3-benzothiazole-6-carboxamide?
The IUPAC name of 2-amino-N-pentyl-N-propan-2-yl-1,3-benzothiazole-6-carboxamide (CID 65349489) is 2-amino-N-pentyl-N-propan-2-yl-1,3-benzothiazole-6-carboxamide.
What is the SMILES notation for 2-amino-N-pentyl-N-propan-2-yl-1,3-benzothiazole-6-carboxamide?
The canonical SMILES for 2-amino-N-pentyl-N-propan-2-yl-1,3-benzothiazole-6-carboxamide is CCCCCN(C(=O)c1ccc2nc(N)sc2c1)C(C)C.
What is the InChIKey of 2-amino-N-pentyl-N-propan-2-yl-1,3-benzothiazole-6-carboxamide?
The InChIKey is YLMLXCXHKJWSQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3OS/c1-4-5-6-9-19(11(2)3)15(20)12-7-8-13-14(10-12)21-16(17)18-13/h7-8,10-11H,4-6,9H2,1-3H3,(H2,17,18).
What are the key properties of 2-amino-N-pentyl-N-propan-2-yl-1,3-benzothiazole-6-carboxamide?
2-amino-N-pentyl-N-propan-2-yl-1,3-benzothiazole-6-carboxamide has a molecular weight of 305.45 g/mol, XLogP of 3.92, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-pentyl-N-propan-2-yl-1,3-benzothiazole-6-carboxamide is sourced from PubChem (CID 65349489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).