2-amino-N-(1-methoxypentan-2-yl)-1,3-benzothiazole-6-carboxamide

C14H19N3O2S — CID 65349221

IUPAC2-amino-N-(1-methoxypentan-2-yl)-1,3-benzothiazole-6-carboxamide
SMILESCCCC(COC)NC(=O)c1ccc2nc(N)sc2c1
InChIInChI=1S/C14H19N3O2S/c1-3-4-10(8-19-2)16-13(18)9-5-6-11-12(7-9)20-14(15)17-11/h5-7,10H,3-4,8H2,1-2H3,(H2,15,17)(H,16,18)
InChIKeyUIKKSSOOPDZTQX-UHFFFAOYSA-N
MW293.39 g/mol
LogP2.42
Rot. Bonds6

About 2-amino-N-(1-methoxypentan-2-yl)-1,3-benzothiazole-6-carboxamide

2-amino-N-(1-methoxypentan-2-yl)-1,3-benzothiazole-6-carboxamide (PubChem CID 65349221) has the molecular formula C14H19N3O2S and a molecular weight of 293.39 g/mol. Its IUPAC name is 2-amino-N-(1-methoxypentan-2-yl)-1,3-benzothiazole-6-carboxamide.

Molecular Properties

Compound Name2-amino-N-(1-methoxypentan-2-yl)-1,3-benzothiazole-6-carboxamide
PubChem CID65349221
Molecular FormulaC14H19N3O2S
Molecular Weight293.39 g/mol
Exact Mass293.12
IUPAC Name2-amino-N-(1-methoxypentan-2-yl)-1,3-benzothiazole-6-carboxamide
SMILESCCCC(COC)NC(=O)c1ccc2nc(N)sc2c1
InChIInChI=1S/C14H19N3O2S/c1-3-4-10(8-19-2)16-13(18)9-5-6-11-12(7-9)20-14(15)17-11/h5-7,10H,3-4,8H2,1-2H3,(H2,15,17)(H,16,18)
InChIKeyUIKKSSOOPDZTQX-UHFFFAOYSA-N
XLogP2.42
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-methoxyethyl 2-amino-1,3-benzothiazole-6-carboxylate
CID 3147262
(3R)-3-[(2-methyl-1,3-benzothiazole-6-carbonyl)amino]hexanoic acid
CID 126451493
(2R)-2-[(2-amino-1,3-benzothiazole-6-carbonyl)amino]-4-hydroxybutanoic acid
CID 107825033
2-amino-N-(1-thiophen-2-ylpropyl)-1,3-benzothiazole-6-carboxamide
CID 65349782
2-chloro-N-(1-methoxypropan-2-yl)-1,3-benzothiazole-6-carboxamide
CID 133167344
2-amino-N-(4-methylpentyl)-1,3-benzothiazole-6-carboxamide
CID 65349539
2-propoxyethyl 2-amino-1,3-benzothiazole-6-carboxylate
CID 65348498
3-chloro-4-iodo-N-(1-methoxypentan-2-yl)benzamide
CID 103222118
2-amino-N-(3-methoxypropyl)-N-methyl-1,3-benzothiazole-6-carboxamide
CID 65349262
N-(2-acetamidoethyl)-2-amino-1,3-benzothiazole-6-carboxamide
CID 60636547
2-amino-N-carbamoyl-1,3-benzothiazole-6-carboxamide
CID 79195134
2-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-1,3-benzothiazole-6-carboxamide
CID 106276484

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(1-methoxypentan-2-yl)-1,3-benzothiazole-6-carboxamide?
The IUPAC name of 2-amino-N-(1-methoxypentan-2-yl)-1,3-benzothiazole-6-carboxamide (CID 65349221) is 2-amino-N-(1-methoxypentan-2-yl)-1,3-benzothiazole-6-carboxamide.
What is the SMILES notation for 2-amino-N-(1-methoxypentan-2-yl)-1,3-benzothiazole-6-carboxamide?
The canonical SMILES for 2-amino-N-(1-methoxypentan-2-yl)-1,3-benzothiazole-6-carboxamide is CCCC(COC)NC(=O)c1ccc2nc(N)sc2c1.
What is the InChIKey of 2-amino-N-(1-methoxypentan-2-yl)-1,3-benzothiazole-6-carboxamide?
The InChIKey is UIKKSSOOPDZTQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2S/c1-3-4-10(8-19-2)16-13(18)9-5-6-11-12(7-9)20-14(15)17-11/h5-7,10H,3-4,8H2,1-2H3,(H2,15,17)(H,16,18).
What are the key properties of 2-amino-N-(1-methoxypentan-2-yl)-1,3-benzothiazole-6-carboxamide?
2-amino-N-(1-methoxypentan-2-yl)-1,3-benzothiazole-6-carboxamide has a molecular weight of 293.39 g/mol, XLogP of 2.42, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(1-methoxypentan-2-yl)-1,3-benzothiazole-6-carboxamide is sourced from PubChem (CID 65349221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).