N-(2-phenylethyl)-5,6,7,8-tetrahydrobenzo[f][1,3]benzothiazol-2-amine

C19H20N2S — CID 82548504

IUPACN-(2-phenylethyl)-5,6,7,8-tetrahydrobenzo[f][1,3]benzothiazol-2-amine
SMILESc1ccc(CCNc2nc3cc4c(cc3s2)CCCC4)cc1
InChIInChI=1S/C19H20N2S/c1-2-6-14(7-3-1)10-11-20-19-21-17-12-15-8-4-5-9-16(15)13-18(17)22-19/h1-3,6-7,12-13H,4-5,8-11H2,(H,20,21)
InChIKeyQIYCPJMHHWWYKL-UHFFFAOYSA-N
MW308.45 g/mol
LogP4.83
Rot. Bonds4

About N-(2-phenylethyl)-5,6,7,8-tetrahydrobenzo[f][1,3]benzothiazol-2-amine

N-(2-phenylethyl)-5,6,7,8-tetrahydrobenzo[f][1,3]benzothiazol-2-amine (PubChem CID 82548504) has the molecular formula C19H20N2S and a molecular weight of 308.45 g/mol. Its IUPAC name is N-(2-phenylethyl)-5,6,7,8-tetrahydrobenzo[f][1,3]benzothiazol-2-amine.

Molecular Properties

Compound NameN-(2-phenylethyl)-5,6,7,8-tetrahydrobenzo[f][1,3]benzothiazol-2-amine
PubChem CID82548504
Molecular FormulaC19H20N2S
Molecular Weight308.45 g/mol
Exact Mass308.13
IUPAC NameN-(2-phenylethyl)-5,6,7,8-tetrahydrobenzo[f][1,3]benzothiazol-2-amine
SMILESc1ccc(CCNc2nc3cc4c(cc3s2)CCCC4)cc1
InChIInChI=1S/C19H20N2S/c1-2-6-14(7-3-1)10-11-20-19-21-17-12-15-8-4-5-9-16(15)13-18(17)22-19/h1-3,6-7,12-13H,4-5,8-11H2,(H,20,21)
InChIKeyQIYCPJMHHWWYKL-UHFFFAOYSA-N
XLogP4.83
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-propyl-5,6,7,8-tetrahydrobenzo[f][1,3]benzothiazol-2-amine
CID 82548511
N-(2-phenylethyl)-6-(trifluoromethyl)-1,3-benzothiazol-2-amine
CID 82549328
6-ethylsulfanyl-N-(2-phenylethyl)-1,3-benzothiazol-2-amine
CID 82548837
5-methoxy-2-(2-phenylethylamino)-1,3-benzothiazole-6-carboxylic acid
CID 82548344
N-methyl-5-(2-phenylethyl)-7,8-dihydro-6H-[1,3]thiazolo[5,4-g]quinolin-2-amine
CID 82548883
5-fluoro-N-[2-(3-fluorophenyl)ethyl]-1,3-benzothiazol-2-amine
CID 43566520
4-[2-[(6-amino-1,3-benzothiazol-2-yl)amino]ethyl]phenol
CID 63231374
4-ethyl-6-methoxy-N-(2-phenylethyl)-1,3-benzothiazol-2-amine
CID 82548617
5,6-dichloro-N-[2-[4-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)phenyl]ethyl]-1,3-benzothiazol-2-amine
CID 46879646
N,6-dibenzyl-1,3-benzothiazol-2-amine
CID 82548710
6-(6,7-dimethoxyquinolin-4-yl)oxy-5-(fluoromethyl)-N-(2-phenylethyl)-1,3-benzothiazol-2-amine
CID 91102546
5-chloro-4-methyl-N-(2-phenylethyl)-1,3-benzothiazol-2-amine
CID 82549540

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylethyl)-5,6,7,8-tetrahydrobenzo[f][1,3]benzothiazol-2-amine?
The IUPAC name of N-(2-phenylethyl)-5,6,7,8-tetrahydrobenzo[f][1,3]benzothiazol-2-amine (CID 82548504) is N-(2-phenylethyl)-5,6,7,8-tetrahydrobenzo[f][1,3]benzothiazol-2-amine.
What is the SMILES notation for N-(2-phenylethyl)-5,6,7,8-tetrahydrobenzo[f][1,3]benzothiazol-2-amine?
The canonical SMILES for N-(2-phenylethyl)-5,6,7,8-tetrahydrobenzo[f][1,3]benzothiazol-2-amine is c1ccc(CCNc2nc3cc4c(cc3s2)CCCC4)cc1.
What is the InChIKey of N-(2-phenylethyl)-5,6,7,8-tetrahydrobenzo[f][1,3]benzothiazol-2-amine?
The InChIKey is QIYCPJMHHWWYKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2S/c1-2-6-14(7-3-1)10-11-20-19-21-17-12-15-8-4-5-9-16(15)13-18(17)22-19/h1-3,6-7,12-13H,4-5,8-11H2,(H,20,21).
What are the key properties of N-(2-phenylethyl)-5,6,7,8-tetrahydrobenzo[f][1,3]benzothiazol-2-amine?
N-(2-phenylethyl)-5,6,7,8-tetrahydrobenzo[f][1,3]benzothiazol-2-amine has a molecular weight of 308.45 g/mol, XLogP of 4.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylethyl)-5,6,7,8-tetrahydrobenzo[f][1,3]benzothiazol-2-amine is sourced from PubChem (CID 82548504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).