2-butyl-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine

C14H24N2S — CID 79411549

IUPAC2-butyl-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
SMILESCCCCc1nc2c(s1)C(NCCC)CCC2
InChIInChI=1S/C14H24N2S/c1-3-5-9-13-16-12-8-6-7-11(14(12)17-13)15-10-4-2/h11,15H,3-10H2,1-2H3
InChIKeyRJTAIBKLGZOIEZ-UHFFFAOYSA-N
MW252.43 g/mol
LogP3.86
Rot. Bonds6

About 2-butyl-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine

2-butyl-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine (PubChem CID 79411549) has the molecular formula C14H24N2S and a molecular weight of 252.43 g/mol. Its IUPAC name is 2-butyl-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine.

Molecular Properties

Compound Name2-butyl-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
PubChem CID79411549
Molecular FormulaC14H24N2S
Molecular Weight252.43 g/mol
Exact Mass252.17
IUPAC Name2-butyl-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
SMILESCCCCc1nc2c(s1)C(NCCC)CCC2
InChIInChI=1S/C14H24N2S/c1-3-5-9-13-16-12-8-6-7-11(14(12)17-13)15-10-4-2/h11,15H,3-10H2,1-2H3
InChIKeyRJTAIBKLGZOIEZ-UHFFFAOYSA-N
XLogP3.86
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.43
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-butyl-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine?
The IUPAC name of 2-butyl-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine (CID 79411549) is 2-butyl-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine.
What is the SMILES notation for 2-butyl-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine?
The canonical SMILES for 2-butyl-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine is CCCCc1nc2c(s1)C(NCCC)CCC2.
What is the InChIKey of 2-butyl-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine?
The InChIKey is RJTAIBKLGZOIEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2S/c1-3-5-9-13-16-12-8-6-7-11(14(12)17-13)15-10-4-2/h11,15H,3-10H2,1-2H3.
What are the key properties of 2-butyl-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine?
2-butyl-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine has a molecular weight of 252.43 g/mol, XLogP of 3.86, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine is sourced from PubChem (CID 79411549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).