4-(propylamino)-4,5,6,7-tetrahydro-3H-1,3-benzothiazol-2-one

C10H16N2OS — CID 81463362

IUPAC4-(propylamino)-4,5,6,7-tetrahydro-3H-1,3-benzothiazol-2-one
SMILESCCCNC1CCCc2sc(=O)[nH]c21
InChIInChI=1S/C10H16N2OS/c1-2-6-11-7-4-3-5-8-9(7)12-10(13)14-8/h7,11H,2-6H2,1H3,(H,12,13)
InChIKeyMLDTWLBQGYGPSS-UHFFFAOYSA-N
MW212.32 g/mol
LogP1.81
Rot. Bonds3

About 4-(propylamino)-4,5,6,7-tetrahydro-3H-1,3-benzothiazol-2-one

4-(propylamino)-4,5,6,7-tetrahydro-3H-1,3-benzothiazol-2-one (PubChem CID 81463362) has the molecular formula C10H16N2OS and a molecular weight of 212.32 g/mol. Its IUPAC name is 4-(propylamino)-4,5,6,7-tetrahydro-3H-1,3-benzothiazol-2-one.

Molecular Properties

Compound Name4-(propylamino)-4,5,6,7-tetrahydro-3H-1,3-benzothiazol-2-one
PubChem CID81463362
Molecular FormulaC10H16N2OS
Molecular Weight212.32 g/mol
Exact Mass212.10
IUPAC Name4-(propylamino)-4,5,6,7-tetrahydro-3H-1,3-benzothiazol-2-one
SMILESCCCNC1CCCc2sc(=O)[nH]c21
InChIInChI=1S/C10H16N2OS/c1-2-6-11-7-4-3-5-8-9(7)12-10(13)14-8/h7,11H,2-6H2,1H3,(H,12,13)
InChIKeyMLDTWLBQGYGPSS-UHFFFAOYSA-N
XLogP1.81
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.32
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-aminoethyl)-4,5,6,7-tetrahydro-3H-1,3-benzothiazol-2-one
CID 83880356
2-cyclobutyl-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
CID 64984578
2-cyclooctyl-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
CID 80609684
2-(4-methylphenyl)-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
CID 64976016
2-N-butyl-2-N-ethyl-4-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,4-diamine
CID 64976647
2-N-methyl-2-N-pentyl-4-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,4-diamine
CID 64976809
N-propyl-2,3,4,9-tetrahydro-1H-carbazol-1-amine
CID 11219296
N-propyl-2-pyrimidin-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
CID 64976044
2-N-methyl-2-N-(oxan-4-yl)-4-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,4-diamine
CID 64977333
2-N-(2-methoxyethyl)-2-N-methyl-4-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,4-diamine
CID 64977128
2-(3,4-dichlorophenyl)-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
CID 64976478
N-propyl-2-(3,3,3-trifluoropropyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
CID 79965102

Frequently Asked Questions

What is the IUPAC name of 4-(propylamino)-4,5,6,7-tetrahydro-3H-1,3-benzothiazol-2-one?
The IUPAC name of 4-(propylamino)-4,5,6,7-tetrahydro-3H-1,3-benzothiazol-2-one (CID 81463362) is 4-(propylamino)-4,5,6,7-tetrahydro-3H-1,3-benzothiazol-2-one.
What is the SMILES notation for 4-(propylamino)-4,5,6,7-tetrahydro-3H-1,3-benzothiazol-2-one?
The canonical SMILES for 4-(propylamino)-4,5,6,7-tetrahydro-3H-1,3-benzothiazol-2-one is CCCNC1CCCc2sc(=O)[nH]c21.
What is the InChIKey of 4-(propylamino)-4,5,6,7-tetrahydro-3H-1,3-benzothiazol-2-one?
The InChIKey is MLDTWLBQGYGPSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2OS/c1-2-6-11-7-4-3-5-8-9(7)12-10(13)14-8/h7,11H,2-6H2,1H3,(H,12,13).
What are the key properties of 4-(propylamino)-4,5,6,7-tetrahydro-3H-1,3-benzothiazol-2-one?
4-(propylamino)-4,5,6,7-tetrahydro-3H-1,3-benzothiazol-2-one has a molecular weight of 212.32 g/mol, XLogP of 1.81, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(propylamino)-4,5,6,7-tetrahydro-3H-1,3-benzothiazol-2-one is sourced from PubChem (CID 81463362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).