6-phenyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine

C13H14N2S — CID 648057

IUPAC6-phenyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine
SMILESNc1nc2c(s1)CC(c1ccccc1)CC2
InChIInChI=1S/C13H14N2S/c14-13-15-11-7-6-10(8-12(11)16-13)9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H2,14,15)
InChIKeyULKFNJBNISYXTB-UHFFFAOYSA-N
MW230.34 g/mol
LogP3.00
Rot. Bonds1

About 6-phenyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine

6-phenyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine (PubChem CID 648057) has the molecular formula C13H14N2S and a molecular weight of 230.34 g/mol. Its IUPAC name is 6-phenyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name6-phenyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine
PubChem CID648057
Molecular FormulaC13H14N2S
Molecular Weight230.34 g/mol
Exact Mass230.09
IUPAC Name6-phenyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine
SMILESNc1nc2c(s1)CC(c1ccccc1)CC2
InChIInChI=1S/C13H14N2S/c14-13-15-11-7-6-10(8-12(11)16-13)9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H2,14,15)
InChIKeyULKFNJBNISYXTB-UHFFFAOYSA-N
XLogP3.00
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.34
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-Amino-4,5-diphenylthiazole
CID 73222
4-Methyl-5-phenyl-thiazol-2-ylamine
CID 244067
4-(diphenylmethyl)-2-Thiazolamine
CID 3478089
4,5-Dihydronaphtho[2,1-d][1,3]thiazol-2-amine
CID 608712
4H,5H-naphtho[1,2-d][1,3]thiazol-2-amine
CID 700289
4,5-Dihydronaphtho[1,2-d]thiazol-2-amine hydrobro
CID 2807475
4,5,6,7-tetrahydro-1,3-benzothiazol-2(3H)-one (1-phenylethylidene)hydrazone
CID 56642823
N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzenesulfonamide
CID 3646055
4-Benzyl-5-phenyl-1,3-thiazol-2-amine
CID 17860310
N-benzyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine
CID 963462
5-Benzyl-4-methyl-1,3-thiazol-2-amine
CID 12384129
4-Methyl-5-((4-methylphenyl)methyl)-1,3-thiazol-2-amine
CID 43431839

Frequently Asked Questions

What is the IUPAC name of 6-phenyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine?
The IUPAC name of 6-phenyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine (CID 648057) is 6-phenyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine.
What is the SMILES notation for 6-phenyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine?
The canonical SMILES for 6-phenyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine is Nc1nc2c(s1)CC(c1ccccc1)CC2.
What is the InChIKey of 6-phenyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine?
The InChIKey is ULKFNJBNISYXTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2S/c14-13-15-11-7-6-10(8-12(11)16-13)9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H2,14,15).
What are the key properties of 6-phenyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine?
6-phenyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine has a molecular weight of 230.34 g/mol, XLogP of 3.00, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine is sourced from PubChem (CID 648057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).