1-[4-(1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]-2-methylpropan-1-amine

C14H15N3S2 — CID 61338213

IUPAC1-[4-(1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]-2-methylpropan-1-amine
SMILESCC(C)C(N)c1nc(-c2nc3ccccc3s2)cs1
InChIInChI=1S/C14H15N3S2/c1-8(2)12(15)14-17-10(7-18-14)13-16-9-5-3-4-6-11(9)19-13/h3-8,12H,15H2,1-2H3
InChIKeyBBEREEXWXKQXSS-UHFFFAOYSA-N
MW289.43 g/mol
LogP4.08
Rot. Bonds3

About 1-[4-(1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]-2-methylpropan-1-amine

1-[4-(1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]-2-methylpropan-1-amine (PubChem CID 61338213) has the molecular formula C14H15N3S2 and a molecular weight of 289.43 g/mol. Its IUPAC name is 1-[4-(1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]-2-methylpropan-1-amine.

Molecular Properties

Compound Name1-[4-(1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]-2-methylpropan-1-amine
PubChem CID61338213
Molecular FormulaC14H15N3S2
Molecular Weight289.43 g/mol
Exact Mass289.07
IUPAC Name1-[4-(1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]-2-methylpropan-1-amine
SMILESCC(C)C(N)c1nc(-c2nc3ccccc3s2)cs1
InChIInChI=1S/C14H15N3S2/c1-8(2)12(15)14-17-10(7-18-14)13-16-9-5-3-4-6-11(9)19-13/h3-8,12H,15H2,1-2H3
InChIKeyBBEREEXWXKQXSS-UHFFFAOYSA-N
XLogP4.08
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.43
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]ethanol
CID 55184370
1-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-2-methylpropan-1-amine
CID 61337834
3-(1,3-benzothiazol-2-yl)-4-methylthiophen-2-amine
CID 2735376
1-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-2-methylpropan-1-amine
CID 114082841
1-[5-(1,3-benzothiazol-2-yl)furan-2-yl]propan-2-amine
CID 170891330
1-[4-(4-bromo-2-fluorophenyl)-1,3-thiazol-2-yl]-2-methylpropan-1-amine
CID 82967723
fluoromethane;bis(2-propan-2-yl-1,3-benzothiazole)
CID 167583467
(1S)-1-(4-bromo-1,3-thiazol-2-yl)-2-methylpropan-1-amine;hydrochloride
CID 51039708
3-(1,3-benzothiazol-2-yl)-5-propan-2-ylthiophen-2-amine
CID 54886401
[6-(1,3-benzothiazol-2-yl)pyridazin-3-yl]hydrazine
CID 62783694
iridium;bis(2-phenyl-1,3-benzothiazole)
CID 87517023
1-[2-(1,3-benzothiazol-2-ylsulfanyl)phenyl]ethanamine
CID 43189263

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]-2-methylpropan-1-amine?
The IUPAC name of 1-[4-(1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]-2-methylpropan-1-amine (CID 61338213) is 1-[4-(1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]-2-methylpropan-1-amine.
What is the SMILES notation for 1-[4-(1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]-2-methylpropan-1-amine?
The canonical SMILES for 1-[4-(1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]-2-methylpropan-1-amine is CC(C)C(N)c1nc(-c2nc3ccccc3s2)cs1.
What is the InChIKey of 1-[4-(1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]-2-methylpropan-1-amine?
The InChIKey is BBEREEXWXKQXSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3S2/c1-8(2)12(15)14-17-10(7-18-14)13-16-9-5-3-4-6-11(9)19-13/h3-8,12H,15H2,1-2H3.
What are the key properties of 1-[4-(1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]-2-methylpropan-1-amine?
1-[4-(1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]-2-methylpropan-1-amine has a molecular weight of 289.43 g/mol, XLogP of 4.08, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]-2-methylpropan-1-amine is sourced from PubChem (CID 61338213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).