6-amino-2-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)heptanamide

C16H23N3OS — CID 65293190

IUPAC6-amino-2-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)heptanamide
SMILESCc1ccc2nc(NC(=O)C(C)CCCC(C)N)sc2c1
InChIInChI=1S/C16H23N3OS/c1-10-7-8-13-14(9-10)21-16(18-13)19-15(20)11(2)5-4-6-12(3)17/h7-9,11-12H,4-6,17H2,1-3H3,(H,18,19,20)
InChIKeyXGJOKPPLXZANHB-UHFFFAOYSA-N
MW305.45 g/mol
LogP3.70
Rot. Bonds6

About 6-amino-2-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)heptanamide

6-amino-2-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)heptanamide (PubChem CID 65293190) has the molecular formula C16H23N3OS and a molecular weight of 305.45 g/mol. Its IUPAC name is 6-amino-2-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)heptanamide.

Molecular Properties

Compound Name6-amino-2-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)heptanamide
PubChem CID65293190
Molecular FormulaC16H23N3OS
Molecular Weight305.45 g/mol
Exact Mass305.16
IUPAC Name6-amino-2-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)heptanamide
SMILESCc1ccc2nc(NC(=O)C(C)CCCC(C)N)sc2c1
InChIInChI=1S/C16H23N3OS/c1-10-7-8-13-14(9-10)21-16(18-13)19-15(20)11(2)5-4-6-12(3)17/h7-9,11-12H,4-6,17H2,1-3H3,(H,18,19,20)
InChIKeyXGJOKPPLXZANHB-UHFFFAOYSA-N
XLogP3.70
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.45
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)butanamide
CID 681042
2-amino-N-(6-methyl-1,3-benzothiazol-2-yl)-4-methylsulfonylbutanamide
CID 43101771
2-(aminomethyl)-4,4-dimethyl-N-(6-methyl-1,3-benzothiazol-2-yl)pentanamide
CID 107470948
[2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] (2R)-2-methylpentanoate
CID 2357128
1-(6-methyl-1,3-benzothiazol-2-yl)-3-propan-2-ylurea
CID 47173430
2-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)pentanamide
CID 3145091
2-(3,5-dimethylphenoxy)-N-(6-methyl-1,3-benzothiazol-2-yl)propanamide
CID 18853986
2-acetamido-N-(6-methyl-1,3-benzothiazol-2-yl)-4-methylsulfonylbutanamide
CID 4595846
(2S)-N-(6-methoxy-1,3-benzothiazol-2-yl)-2-methylpentanamide
CID 884256
(2S)-N-(6-methyl-1,3-benzothiazol-2-yl)-2-(3-methylphenoxy)propanamide
CID 7919906
N-(6-fluoro-1,3-benzothiazol-2-yl)-2-methylbutanamide
CID 24625327
3-chloro-N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-methylpropanamide
CID 62729387

Frequently Asked Questions

What is the IUPAC name of 6-amino-2-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)heptanamide?
The IUPAC name of 6-amino-2-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)heptanamide (CID 65293190) is 6-amino-2-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)heptanamide.
What is the SMILES notation for 6-amino-2-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)heptanamide?
The canonical SMILES for 6-amino-2-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)heptanamide is Cc1ccc2nc(NC(=O)C(C)CCCC(C)N)sc2c1.
What is the InChIKey of 6-amino-2-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)heptanamide?
The InChIKey is XGJOKPPLXZANHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3OS/c1-10-7-8-13-14(9-10)21-16(18-13)19-15(20)11(2)5-4-6-12(3)17/h7-9,11-12H,4-6,17H2,1-3H3,(H,18,19,20).
What are the key properties of 6-amino-2-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)heptanamide?
6-amino-2-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)heptanamide has a molecular weight of 305.45 g/mol, XLogP of 3.70, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)heptanamide is sourced from PubChem (CID 65293190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).