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

C13H14N2S — CID 738502

IUPACN-phenyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine
SMILESc1ccc(Nc2nc3c(s2)CCCC3)cc1
InChIInChI=1S/C13H14N2S/c1-2-6-10(7-3-1)14-13-15-11-8-4-5-9-12(11)16-13/h1-3,6-7H,4-5,8-9H2,(H,14,15)
InChIKeyDAQPKULKFNHSTP-UHFFFAOYSA-N
MW230.34 g/mol
LogP3.77
Rot. Bonds2

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

N-phenyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine (PubChem CID 738502) has the molecular formula C13H14N2S and a molecular weight of 230.34 g/mol. Its IUPAC name is N-phenyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine.

Molecular Properties

Compound NameN-phenyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine
PubChem CID738502
Molecular FormulaC13H14N2S
Molecular Weight230.34 g/mol
Exact Mass230.09
IUPAC NameN-phenyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine
SMILESc1ccc(Nc2nc3c(s2)CCCC3)cc1
InChIInChI=1S/C13H14N2S/c1-2-6-10(7-3-1)14-13-15-11-8-4-5-9-12(11)16-13/h1-3,6-7H,4-5,8-9H2,(H,14,15)
InChIKeyDAQPKULKFNHSTP-UHFFFAOYSA-N
XLogP3.77
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.34
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Benzo(d)thiazol-2-amine
CID 8706
2-Piperazin-1-yl-1,3-benzothiazole
CID 592122
N-(4-fluorophenyl)-1,3-benzothiazol-2-amine
CID 2360905
2-Guanidinobenzothiazole
CID 17415
N-Methylbenzothiazol-2-amine
CID 28160
Anilinobenzothiazole
CID 230981
1-(1,3-Benzothiazol-2-yl)-3-phenylurea
CID 726342
4-Amino-N-cyano-2-(phenylamino)thiazole-5-carboximidamide
CID 4914117
4-methyl-N-phenyl-1,3-thiazol-2-amine
CID 676722
4-tert-butyl-N-phenylthiazol-2-amine
CID 9899450
2-(p-Aminoanilino)-4-phenyl-thiazole
CID 697284
1-(1,3-Benzothiazol-2-yl)-3-(2,4-difluorophenyl)urea
CID 929625

Frequently Asked Questions

What is the IUPAC name of N-phenyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine?
The IUPAC name of N-phenyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine (CID 738502) is N-phenyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine.
What is the SMILES notation for N-phenyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine?
The canonical SMILES for N-phenyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine is c1ccc(Nc2nc3c(s2)CCCC3)cc1.
What is the InChIKey of N-phenyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine?
The InChIKey is DAQPKULKFNHSTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2S/c1-2-6-10(7-3-1)14-13-15-11-8-4-5-9-12(11)16-13/h1-3,6-7H,4-5,8-9H2,(H,14,15).
What are the key properties of N-phenyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine?
N-phenyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine has a molecular weight of 230.34 g/mol, XLogP of 3.77, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine is sourced from PubChem (CID 738502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).