5-amino-2-methyl-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)pentanamide

C14H19N3OS2 — CID 104683865

IUPAC5-amino-2-methyl-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)pentanamide
SMILESCSc1nc2ccc(NC(=O)C(C)CCCN)cc2s1
InChIInChI=1S/C14H19N3OS2/c1-9(4-3-7-15)13(18)16-10-5-6-11-12(8-10)20-14(17-11)19-2/h5-6,8-9H,3-4,7,15H2,1-2H3,(H,16,18)
InChIKeyZXZJPCNUVACONB-UHFFFAOYSA-N
MW309.46 g/mol
LogP3.33
Rot. Bonds6

About 5-amino-2-methyl-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)pentanamide

5-amino-2-methyl-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)pentanamide (PubChem CID 104683865) has the molecular formula C14H19N3OS2 and a molecular weight of 309.46 g/mol. Its IUPAC name is 5-amino-2-methyl-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)pentanamide.

Molecular Properties

Compound Name5-amino-2-methyl-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)pentanamide
PubChem CID104683865
Molecular FormulaC14H19N3OS2
Molecular Weight309.46 g/mol
Exact Mass309.10
IUPAC Name5-amino-2-methyl-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)pentanamide
SMILESCSc1nc2ccc(NC(=O)C(C)CCCN)cc2s1
InChIInChI=1S/C14H19N3OS2/c1-9(4-3-7-15)13(18)16-10-5-6-11-12(8-10)20-14(17-11)19-2/h5-6,8-9H,3-4,7,15H2,1-2H3,(H,16,18)
InChIKeyZXZJPCNUVACONB-UHFFFAOYSA-N
XLogP3.33
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.46
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-(carbamoylamino)-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)propanamide
CID 32554657
2-amino-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)hexanamide
CID 60853488
3-amino-2,2,3-trimethyl-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)butanamide
CID 65264454
N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-2-propan-2-yloxyacetamide
CID 47411212
N-[1-[(2-methylsulfanyl-1,3-benzothiazol-6-yl)amino]-1-oxopropan-2-yl]benzamide
CID 24636449
5-amino-2-methyl-N-(4-methylsulfanylphenyl)pentanamide
CID 104683445
N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)benzamide
CID 959118
N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-2-phenylacetamide
CID 959132
2-methylsulfanyl-N-octan-2-yl-1,3-benzothiazol-6-amine
CID 63426863
1-amino-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)cyclopentane-1-carboxamide
CID 60866672
ethyl 4-[(2-methylsulfanyl-1,3-benzothiazol-6-yl)amino]-4-oxobutanoate
CID 26850848
1-(4-methoxyphenyl)-3-(2-methylsulfanyl-1,3-benzothiazol-6-yl)urea
CID 2381206

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-methyl-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)pentanamide?
The IUPAC name of 5-amino-2-methyl-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)pentanamide (CID 104683865) is 5-amino-2-methyl-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)pentanamide.
What is the SMILES notation for 5-amino-2-methyl-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)pentanamide?
The canonical SMILES for 5-amino-2-methyl-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)pentanamide is CSc1nc2ccc(NC(=O)C(C)CCCN)cc2s1.
What is the InChIKey of 5-amino-2-methyl-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)pentanamide?
The InChIKey is ZXZJPCNUVACONB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3OS2/c1-9(4-3-7-15)13(18)16-10-5-6-11-12(8-10)20-14(17-11)19-2/h5-6,8-9H,3-4,7,15H2,1-2H3,(H,16,18).
What are the key properties of 5-amino-2-methyl-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)pentanamide?
5-amino-2-methyl-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)pentanamide has a molecular weight of 309.46 g/mol, XLogP of 3.33, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-methyl-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)pentanamide is sourced from PubChem (CID 104683865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).