1-amino-N-[3-(6-methyl-1,3-benzothiazol-2-yl)-2-oxopropyl]cyclobutane-1-carboxamide

C16H19N3O2S — CID 148937075

IUPAC1-amino-N-[3-(6-methyl-1,3-benzothiazol-2-yl)-2-oxopropyl]cyclobutane-1-carboxamide
SMILESCc1ccc2nc(CC(=O)CNC(=O)C3(N)CCC3)sc2c1
InChIInChI=1S/C16H19N3O2S/c1-10-3-4-12-13(7-10)22-14(19-12)8-11(20)9-18-15(21)16(17)5-2-6-16/h3-4,7H,2,5-6,8-9,17H2,1H3,(H,18,21)
InChIKeyPNDXAYUNQGOHNC-UHFFFAOYSA-N
MW317.41 g/mol
LogP1.71
Rot. Bonds5

About 1-amino-N-[3-(6-methyl-1,3-benzothiazol-2-yl)-2-oxopropyl]cyclobutane-1-carboxamide

1-amino-N-[3-(6-methyl-1,3-benzothiazol-2-yl)-2-oxopropyl]cyclobutane-1-carboxamide (PubChem CID 148937075) has the molecular formula C16H19N3O2S and a molecular weight of 317.41 g/mol. Its IUPAC name is 1-amino-N-[3-(6-methyl-1,3-benzothiazol-2-yl)-2-oxopropyl]cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-[3-(6-methyl-1,3-benzothiazol-2-yl)-2-oxopropyl]cyclobutane-1-carboxamide
PubChem CID148937075
Molecular FormulaC16H19N3O2S
Molecular Weight317.41 g/mol
Exact Mass317.12
IUPAC Name1-amino-N-[3-(6-methyl-1,3-benzothiazol-2-yl)-2-oxopropyl]cyclobutane-1-carboxamide
SMILESCc1ccc2nc(CC(=O)CNC(=O)C3(N)CCC3)sc2c1
InChIInChI=1S/C16H19N3O2S/c1-10-3-4-12-13(7-10)22-14(19-12)8-11(20)9-18-15(21)16(17)5-2-6-16/h3-4,7H,2,5-6,8-9,17H2,1H3,(H,18,21)
InChIKeyPNDXAYUNQGOHNC-UHFFFAOYSA-N
XLogP1.71
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-amino-3-cyclohexyl-N-[3-(6-methyl-1,3-benzothiazol-2-yl)-2-oxopropyl]propanamide
CID 147896542
1-(aminomethyl)-N-(6-methyl-1,3-benzothiazol-2-yl)cyclobutane-1-carboxamide
CID 115447324
1-(6-methyl-1,3-benzothiazol-2-yl)-3-phenylpropan-2-one
CID 159883027
(2S)-2-amino-N-[3-(6-methyl-1,3-benzothiazol-2-yl)-2-oxopropyl]-3-phenylmethoxypropanamide
CID 160534786
1-amino-N-[2-oxo-2-[[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]amino]ethyl]cyclobutane-1-carboxamide
CID 122624961
2-[1-[(6-methyl-1,3-benzothiazol-2-yl)methyl]cyclopentyl]acetic acid
CID 79142694
N-(6-methyl-1,3-benzothiazol-2-yl)-1-phenylcyclobutane-1-carboxamide
CID 32618876
2-methyl-1-(6-methyl-1,3-benzothiazol-2-yl)propan-2-amine
CID 79142285
1-[2-(aminomethyl)phenyl]-2-(6-methyl-1,3-benzothiazol-2-yl)ethanone
CID 149165777
1-amino-N-(1,3-benzothiazol-2-ylmethyl)cyclopropane-1-carboxamide;hydrochloride
CID 119686687
2-ethyl-6-methyl-1,3-benzothiazole
CID 22899424
1-amino-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)cyclohexane-1-carboxamide
CID 119839211

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[3-(6-methyl-1,3-benzothiazol-2-yl)-2-oxopropyl]cyclobutane-1-carboxamide?
The IUPAC name of 1-amino-N-[3-(6-methyl-1,3-benzothiazol-2-yl)-2-oxopropyl]cyclobutane-1-carboxamide (CID 148937075) is 1-amino-N-[3-(6-methyl-1,3-benzothiazol-2-yl)-2-oxopropyl]cyclobutane-1-carboxamide.
What is the SMILES notation for 1-amino-N-[3-(6-methyl-1,3-benzothiazol-2-yl)-2-oxopropyl]cyclobutane-1-carboxamide?
The canonical SMILES for 1-amino-N-[3-(6-methyl-1,3-benzothiazol-2-yl)-2-oxopropyl]cyclobutane-1-carboxamide is Cc1ccc2nc(CC(=O)CNC(=O)C3(N)CCC3)sc2c1.
What is the InChIKey of 1-amino-N-[3-(6-methyl-1,3-benzothiazol-2-yl)-2-oxopropyl]cyclobutane-1-carboxamide?
The InChIKey is PNDXAYUNQGOHNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2S/c1-10-3-4-12-13(7-10)22-14(19-12)8-11(20)9-18-15(21)16(17)5-2-6-16/h3-4,7H,2,5-6,8-9,17H2,1H3,(H,18,21).
What are the key properties of 1-amino-N-[3-(6-methyl-1,3-benzothiazol-2-yl)-2-oxopropyl]cyclobutane-1-carboxamide?
1-amino-N-[3-(6-methyl-1,3-benzothiazol-2-yl)-2-oxopropyl]cyclobutane-1-carboxamide has a molecular weight of 317.41 g/mol, XLogP of 1.71, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[3-(6-methyl-1,3-benzothiazol-2-yl)-2-oxopropyl]cyclobutane-1-carboxamide is sourced from PubChem (CID 148937075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).