2-(1,3-benzothiazol-2-yl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanamine

C14H16N4S2 — CID 105169681

IUPAC2-(1,3-benzothiazol-2-yl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanamine
SMILESCC(C)c1nnsc1C(N)Cc1nc2ccccc2s1
InChIInChI=1S/C14H16N4S2/c1-8(2)13-14(20-18-17-13)9(15)7-12-16-10-5-3-4-6-11(10)19-12/h3-6,8-9H,7,15H2,1-2H3
InChIKeyAAWSSSISXHBELL-UHFFFAOYSA-N
MW304.44 g/mol
LogP3.51
Rot. Bonds4

About 2-(1,3-benzothiazol-2-yl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanamine

2-(1,3-benzothiazol-2-yl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanamine (PubChem CID 105169681) has the molecular formula C14H16N4S2 and a molecular weight of 304.44 g/mol. Its IUPAC name is 2-(1,3-benzothiazol-2-yl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanamine.

Molecular Properties

Compound Name2-(1,3-benzothiazol-2-yl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanamine
PubChem CID105169681
Molecular FormulaC14H16N4S2
Molecular Weight304.44 g/mol
Exact Mass304.08
IUPAC Name2-(1,3-benzothiazol-2-yl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanamine
SMILESCC(C)c1nnsc1C(N)Cc1nc2ccccc2s1
InChIInChI=1S/C14H16N4S2/c1-8(2)13-14(20-18-17-13)9(15)7-12-16-10-5-3-4-6-11(10)19-12/h3-6,8-9H,7,15H2,1-2H3
InChIKeyAAWSSSISXHBELL-UHFFFAOYSA-N
XLogP3.51
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(1,3-benzothiazol-2-yl)-1-(3-methylthiophen-2-yl)ethanamine
CID 43118621
2-(1,3-benzothiazol-2-yl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanone
CID 105118611
1-(1,3-benzothiazol-2-yl)-3-methoxypropan-2-amine
CID 63197747
2-(1,3-benzothiazol-2-yl)-1-(4-bromophenyl)ethanamine
CID 43118698
1-(1,3-benzothiazol-2-yl)pentan-2-amine
CID 43118668
1-(1,3-benzothiazol-2-yl)-3-methyl-4-methylsulfanylbutan-2-amine
CID 114222019
2-(1,3-benzothiazol-2-yl)-1-(5-ethylfuran-2-yl)ethanamine
CID 79095111
1-(1,3-benzothiazol-2-yl)-3-methylbutan-2-ol
CID 11806254
2-(2-chlorobutyl)-1,3-benzothiazole
CID 63202547
(2R)-2-amino-3-(1,3-benzothiazol-2-yl)propanoic acid;hydrochloride
CID 155669952
1-(1,3-benzothiazol-2-yl)-3-methylsulfonylbutan-2-amine
CID 104520110
2-(2-phenylbutyl)-1,3-benzothiazole
CID 56999152

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzothiazol-2-yl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanamine?
The IUPAC name of 2-(1,3-benzothiazol-2-yl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanamine (CID 105169681) is 2-(1,3-benzothiazol-2-yl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanamine.
What is the SMILES notation for 2-(1,3-benzothiazol-2-yl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanamine?
The canonical SMILES for 2-(1,3-benzothiazol-2-yl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanamine is CC(C)c1nnsc1C(N)Cc1nc2ccccc2s1.
What is the InChIKey of 2-(1,3-benzothiazol-2-yl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanamine?
The InChIKey is AAWSSSISXHBELL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4S2/c1-8(2)13-14(20-18-17-13)9(15)7-12-16-10-5-3-4-6-11(10)19-12/h3-6,8-9H,7,15H2,1-2H3.
What are the key properties of 2-(1,3-benzothiazol-2-yl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanamine?
2-(1,3-benzothiazol-2-yl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanamine has a molecular weight of 304.44 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzothiazol-2-yl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanamine is sourced from PubChem (CID 105169681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).