2-methyl-N-propan-2-yl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)butan-1-amine

C15H26N2S — CID 61335438

IUPAC2-methyl-N-propan-2-yl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)butan-1-amine
SMILESCCC(C)C(NC(C)C)c1nc2c(s1)CCCC2
InChIInChI=1S/C15H26N2S/c1-5-11(4)14(16-10(2)3)15-17-12-8-6-7-9-13(12)18-15/h10-11,14,16H,5-9H2,1-4H3
InChIKeySRGKIKJQAHPFNB-UHFFFAOYSA-N
MW266.45 g/mol
LogP4.11
Rot. Bonds5

About 2-methyl-N-propan-2-yl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)butan-1-amine

2-methyl-N-propan-2-yl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)butan-1-amine (PubChem CID 61335438) has the molecular formula C15H26N2S and a molecular weight of 266.45 g/mol. Its IUPAC name is 2-methyl-N-propan-2-yl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)butan-1-amine.

Molecular Properties

Compound Name2-methyl-N-propan-2-yl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)butan-1-amine
PubChem CID61335438
Molecular FormulaC15H26N2S
Molecular Weight266.45 g/mol
Exact Mass266.18
IUPAC Name2-methyl-N-propan-2-yl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)butan-1-amine
SMILESCCC(C)C(NC(C)C)c1nc2c(s1)CCCC2
InChIInChI=1S/C15H26N2S/c1-5-11(4)14(16-10(2)3)15-17-12-8-6-7-9-13(12)18-15/h10-11,14,16H,5-9H2,1-4H3
InChIKeySRGKIKJQAHPFNB-UHFFFAOYSA-N
XLogP4.11
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.45
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-propan-2-yl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)butan-1-amine?
The IUPAC name of 2-methyl-N-propan-2-yl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)butan-1-amine (CID 61335438) is 2-methyl-N-propan-2-yl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)butan-1-amine.
What is the SMILES notation for 2-methyl-N-propan-2-yl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)butan-1-amine?
The canonical SMILES for 2-methyl-N-propan-2-yl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)butan-1-amine is CCC(C)C(NC(C)C)c1nc2c(s1)CCCC2.
What is the InChIKey of 2-methyl-N-propan-2-yl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)butan-1-amine?
The InChIKey is SRGKIKJQAHPFNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2S/c1-5-11(4)14(16-10(2)3)15-17-12-8-6-7-9-13(12)18-15/h10-11,14,16H,5-9H2,1-4H3.
What are the key properties of 2-methyl-N-propan-2-yl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)butan-1-amine?
2-methyl-N-propan-2-yl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)butan-1-amine has a molecular weight of 266.45 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-propan-2-yl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)butan-1-amine is sourced from PubChem (CID 61335438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).