(6S)-3-methyl-6-N-propyl-4,5,6,7-tetrahydro-2H-1,3-benzothiazole-2,6-diamine

C11H21N3S — CID 143653344

IUPAC(6S)-3-methyl-6-N-propyl-4,5,6,7-tetrahydro-2H-1,3-benzothiazole-2,6-diamine
SMILESCCCN[C@H]1CCC2=C(C1)SC(N)N2C
InChIInChI=1S/C11H21N3S/c1-3-6-13-8-4-5-9-10(7-8)15-11(12)14(9)2/h8,11,13H,3-7,12H2,1-2H3/t8-,11?/m0/s1
InChIKeyRUYKGHAJZPCNBK-YMNIQAILSA-N
MW227.38 g/mol
LogP1.67
Rot. Bonds3

About (6S)-3-methyl-6-N-propyl-4,5,6,7-tetrahydro-2H-1,3-benzothiazole-2,6-diamine

(6S)-3-methyl-6-N-propyl-4,5,6,7-tetrahydro-2H-1,3-benzothiazole-2,6-diamine (PubChem CID 143653344) has the molecular formula C11H21N3S and a molecular weight of 227.38 g/mol. Its IUPAC name is (6S)-3-methyl-6-N-propyl-4,5,6,7-tetrahydro-2H-1,3-benzothiazole-2,6-diamine.

Molecular Properties

Compound Name(6S)-3-methyl-6-N-propyl-4,5,6,7-tetrahydro-2H-1,3-benzothiazole-2,6-diamine
PubChem CID143653344
Molecular FormulaC11H21N3S
Molecular Weight227.38 g/mol
Exact Mass227.15
IUPAC Name(6S)-3-methyl-6-N-propyl-4,5,6,7-tetrahydro-2H-1,3-benzothiazole-2,6-diamine
SMILESCCCN[C@H]1CCC2=C(C1)SC(N)N2C
InChIInChI=1S/C11H21N3S/c1-3-6-13-8-4-5-9-10(7-8)15-11(12)14(9)2/h8,11,13H,3-7,12H2,1-2H3/t8-,11?/m0/s1
InChIKeyRUYKGHAJZPCNBK-YMNIQAILSA-N
XLogP1.67
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.38
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (6S)-3-methyl-6-N-propyl-4,5,6,7-tetrahydro-2H-1,3-benzothiazole-2,6-diamine with MolForge

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Related Compounds

2,3,4,5,6,7-Hexahydro-1,3-benzothiazol-2-amine
CID 67384843
2,3,4,5,6,7-Hexahydro-1,3-benzothiazole-2,6-diamine
CID 68857792
6-N-prop-2-enyl-2,3,4,5,6,7-hexahydro-1,3-benzothiazole-2,6-diamine
CID 68905391
6-N-propyl-2,3,4,5,6,7-hexahydro-1,3-benzothiazole-2,6-diamine
CID 69032494
6-N-propyl-2,3,4,5,6,7-hexahydro-1,3-benzothiazole-2,6-diamine;dihydrochloride
CID 69036823
2-N'-propyl-4,5,6,7-tetrahydro-3H-1,3-benzothiazole-2,2-diamine
CID 69038261
6-Methylsulfanyl-2,3,4,5,6,7-hexahydro-1,3-benzothiazol-2-amine
CID 71022290
3-prop-2-ynyl-4,5,6,7-tetrahydro-2H-1,3-benzothiazole-2,6-diamine
CID 87720920
6-N-propyl-3-prop-2-ynyl-4,5,6,7-tetrahydro-2H-1,3-benzothiazole-2,6-diamine
CID 87728268
2-N-iodo-6-N-propyl-2,3,4,5,6,7-hexahydro-1,3-benzothiazole-2,6-diamine
CID 89250595
(6R)-6-methylsulfanyl-2,3,4,5,6,7-hexahydro-1,3-benzothiazol-2-amine
CID 89652982
Ethane;2-methyl-2,3,4,5,6,7-hexahydro-1,3-benzothiazole
CID 142366117

Frequently Asked Questions

What is the IUPAC name of (6S)-3-methyl-6-N-propyl-4,5,6,7-tetrahydro-2H-1,3-benzothiazole-2,6-diamine?
The IUPAC name of (6S)-3-methyl-6-N-propyl-4,5,6,7-tetrahydro-2H-1,3-benzothiazole-2,6-diamine (CID 143653344) is (6S)-3-methyl-6-N-propyl-4,5,6,7-tetrahydro-2H-1,3-benzothiazole-2,6-diamine.
What is the SMILES notation for (6S)-3-methyl-6-N-propyl-4,5,6,7-tetrahydro-2H-1,3-benzothiazole-2,6-diamine?
The canonical SMILES for (6S)-3-methyl-6-N-propyl-4,5,6,7-tetrahydro-2H-1,3-benzothiazole-2,6-diamine is CCCN[C@H]1CCC2=C(C1)SC(N)N2C.
What is the InChIKey of (6S)-3-methyl-6-N-propyl-4,5,6,7-tetrahydro-2H-1,3-benzothiazole-2,6-diamine?
The InChIKey is RUYKGHAJZPCNBK-YMNIQAILSA-N. The full InChI is InChI=1S/C11H21N3S/c1-3-6-13-8-4-5-9-10(7-8)15-11(12)14(9)2/h8,11,13H,3-7,12H2,1-2H3/t8-,11?/m0/s1.
What are the key properties of (6S)-3-methyl-6-N-propyl-4,5,6,7-tetrahydro-2H-1,3-benzothiazole-2,6-diamine?
(6S)-3-methyl-6-N-propyl-4,5,6,7-tetrahydro-2H-1,3-benzothiazole-2,6-diamine has a molecular weight of 227.38 g/mol, XLogP of 1.67, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-3-methyl-6-N-propyl-4,5,6,7-tetrahydro-2H-1,3-benzothiazole-2,6-diamine is sourced from PubChem (CID 143653344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).