N-cyclopentyl-7-oxo-2-(propanoylamino)-5,6-dihydro-4H-1,3-benzothiazole-5-carboxamide

C16H21N3O3S — CID 118757381

IUPACN-cyclopentyl-7-oxo-2-(propanoylamino)-5,6-dihydro-4H-1,3-benzothiazole-5-carboxamide
SMILESCCC(=O)Nc1nc2c(s1)C(=O)CC(C(=O)NC1CCCC1)C2
InChIInChI=1S/C16H21N3O3S/c1-2-13(21)19-16-18-11-7-9(8-12(20)14(11)23-16)15(22)17-10-5-3-4-6-10/h9-10H,2-8H2,1H3,(H,17,22)(H,18,19,21)
InChIKeyHHYWBLNNCWLIQP-UHFFFAOYSA-N
MW335.43 g/mol
LogP2.30
Rot. Bonds4

About N-cyclopentyl-7-oxo-2-(propanoylamino)-5,6-dihydro-4H-1,3-benzothiazole-5-carboxamide

N-cyclopentyl-7-oxo-2-(propanoylamino)-5,6-dihydro-4H-1,3-benzothiazole-5-carboxamide (PubChem CID 118757381) has the molecular formula C16H21N3O3S and a molecular weight of 335.43 g/mol. Its IUPAC name is N-cyclopentyl-7-oxo-2-(propanoylamino)-5,6-dihydro-4H-1,3-benzothiazole-5-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-7-oxo-2-(propanoylamino)-5,6-dihydro-4H-1,3-benzothiazole-5-carboxamide
PubChem CID118757381
Molecular FormulaC16H21N3O3S
Molecular Weight335.43 g/mol
Exact Mass335.13
IUPAC NameN-cyclopentyl-7-oxo-2-(propanoylamino)-5,6-dihydro-4H-1,3-benzothiazole-5-carboxamide
SMILESCCC(=O)Nc1nc2c(s1)C(=O)CC(C(=O)NC1CCCC1)C2
InChIInChI=1S/C16H21N3O3S/c1-2-13(21)19-16-18-11-7-9(8-12(20)14(11)23-16)15(22)17-10-5-3-4-6-10/h9-10H,2-8H2,1H3,(H,17,22)(H,18,19,21)
InChIKeyHHYWBLNNCWLIQP-UHFFFAOYSA-N
XLogP2.30
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-7-oxo-2-(propanoylamino)-5,6-dihydro-4H-1,3-benzothiazole-5-carboxamide?
The IUPAC name of N-cyclopentyl-7-oxo-2-(propanoylamino)-5,6-dihydro-4H-1,3-benzothiazole-5-carboxamide (CID 118757381) is N-cyclopentyl-7-oxo-2-(propanoylamino)-5,6-dihydro-4H-1,3-benzothiazole-5-carboxamide.
What is the SMILES notation for N-cyclopentyl-7-oxo-2-(propanoylamino)-5,6-dihydro-4H-1,3-benzothiazole-5-carboxamide?
The canonical SMILES for N-cyclopentyl-7-oxo-2-(propanoylamino)-5,6-dihydro-4H-1,3-benzothiazole-5-carboxamide is CCC(=O)Nc1nc2c(s1)C(=O)CC(C(=O)NC1CCCC1)C2.
What is the InChIKey of N-cyclopentyl-7-oxo-2-(propanoylamino)-5,6-dihydro-4H-1,3-benzothiazole-5-carboxamide?
The InChIKey is HHYWBLNNCWLIQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3S/c1-2-13(21)19-16-18-11-7-9(8-12(20)14(11)23-16)15(22)17-10-5-3-4-6-10/h9-10H,2-8H2,1H3,(H,17,22)(H,18,19,21).
What are the key properties of N-cyclopentyl-7-oxo-2-(propanoylamino)-5,6-dihydro-4H-1,3-benzothiazole-5-carboxamide?
N-cyclopentyl-7-oxo-2-(propanoylamino)-5,6-dihydro-4H-1,3-benzothiazole-5-carboxamide has a molecular weight of 335.43 g/mol, XLogP of 2.30, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-7-oxo-2-(propanoylamino)-5,6-dihydro-4H-1,3-benzothiazole-5-carboxamide is sourced from PubChem (CID 118757381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).