N-(6-methyl-4-phenylsulfanyl-2-pyridinyl)-1,3-benzothiazol-2-amine;propylcyclohexane

C28H33N3S2 — CID 144988240

IUPACN-(6-methyl-4-phenylsulfanyl-2-pyridinyl)-1,3-benzothiazol-2-amine;propylcyclohexane
SMILESCCCC1CCCCC1.Cc1cc(Sc2ccccc2)cc(Nc2nc3ccccc3s2)n1
InChIInChI=1S/C19H15N3S2.C9H18/c1-13-11-15(23-14-7-3-2-4-8-14)12-18(20-13)22-19-21-16-9-5-6-10-17(16)24-19;1-2-6-9-7-4-3-5-8-9/h2-12H,1H3,(H,20,21,22);9H,2-8H2,1H3
InChIKeyZHYQLILTMYZBSL-UHFFFAOYSA-N
MW475.73 g/mol
LogP9.26
Rot. Bonds6

About N-(6-methyl-4-phenylsulfanyl-2-pyridinyl)-1,3-benzothiazol-2-amine;propylcyclohexane

N-(6-methyl-4-phenylsulfanyl-2-pyridinyl)-1,3-benzothiazol-2-amine;propylcyclohexane (PubChem CID 144988240) has the molecular formula C28H33N3S2 and a molecular weight of 475.73 g/mol. Its IUPAC name is N-(6-methyl-4-phenylsulfanyl-2-pyridinyl)-1,3-benzothiazol-2-amine;propylcyclohexane.

Molecular Properties

Compound NameN-(6-methyl-4-phenylsulfanyl-2-pyridinyl)-1,3-benzothiazol-2-amine;propylcyclohexane
PubChem CID144988240
Molecular FormulaC28H33N3S2
Molecular Weight475.73 g/mol
Exact Mass475.21
IUPAC NameN-(6-methyl-4-phenylsulfanyl-2-pyridinyl)-1,3-benzothiazol-2-amine;propylcyclohexane
SMILESCCCC1CCCCC1.Cc1cc(Sc2ccccc2)cc(Nc2nc3ccccc3s2)n1
InChIInChI=1S/C19H15N3S2.C9H18/c1-13-11-15(23-14-7-3-2-4-8-14)12-18(20-13)22-19-21-16-9-5-6-10-17(16)24-19;1-2-6-9-7-4-3-5-8-9/h2-12H,1H3,(H,20,21,22);9H,2-8H2,1H3
InChIKeyZHYQLILTMYZBSL-UHFFFAOYSA-N
XLogP9.26
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.73
LogP ≤ 59.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(6-methyl-4-phenylsulfanyl-2-pyridinyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-amine;propylcyclohexane
CID 144988118
N-(cyclopentylmethyl)-1,3-benzothiazol-2-amine
CID 12741817
N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-cyclohexylethanamine
CID 83961945
N-(1,3-benzothiazol-2-yl)-2-cyclohexylacetamide
CID 806702
N-(2-bromo-1,3-thiazol-4-yl)-1,3-benzothiazol-2-amine
CID 175658877
1-(1,3-benzothiazol-2-yl)-N-(2-cyclopentylethyl)ethanamine
CID 54932145
1-(1,3-benzothiazol-2-yl)-3-[[(1R,3R)-3-[(1,3-benzothiazol-2-ylcarbamoylamino)methyl]cyclohexyl]methyl]urea
CID 27190983
N-(4-bromo-1,3-thiazol-2-yl)-1,3-benzothiazol-2-amine
CID 175655892
2-(1,3-benzothiazol-2-ylcarbamoyl)cyclohexane-1-carboxylic acid
CID 4153811
N,N-dimethylcyclohexanamine;ethane;N-methyl-1,3-benzothiazol-2-amine
CID 143125786
N-(1,3-benzothiazol-2-yl)propane-1-sulfonamide
CID 60640584
ethyl 2,2-bis[2-(1,3-benzothiazol-2-ylamino)-1,3-thiazol-4-yl]acetate
CID 59707819

Frequently Asked Questions

What is the IUPAC name of N-(6-methyl-4-phenylsulfanyl-2-pyridinyl)-1,3-benzothiazol-2-amine;propylcyclohexane?
The IUPAC name of N-(6-methyl-4-phenylsulfanyl-2-pyridinyl)-1,3-benzothiazol-2-amine;propylcyclohexane (CID 144988240) is N-(6-methyl-4-phenylsulfanyl-2-pyridinyl)-1,3-benzothiazol-2-amine;propylcyclohexane.
What is the SMILES notation for N-(6-methyl-4-phenylsulfanyl-2-pyridinyl)-1,3-benzothiazol-2-amine;propylcyclohexane?
The canonical SMILES for N-(6-methyl-4-phenylsulfanyl-2-pyridinyl)-1,3-benzothiazol-2-amine;propylcyclohexane is CCCC1CCCCC1.Cc1cc(Sc2ccccc2)cc(Nc2nc3ccccc3s2)n1.
What is the InChIKey of N-(6-methyl-4-phenylsulfanyl-2-pyridinyl)-1,3-benzothiazol-2-amine;propylcyclohexane?
The InChIKey is ZHYQLILTMYZBSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3S2.C9H18/c1-13-11-15(23-14-7-3-2-4-8-14)12-18(20-13)22-19-21-16-9-5-6-10-17(16)24-19;1-2-6-9-7-4-3-5-8-9/h2-12H,1H3,(H,20,21,22);9H,2-8H2,1H3.
What are the key properties of N-(6-methyl-4-phenylsulfanyl-2-pyridinyl)-1,3-benzothiazol-2-amine;propylcyclohexane?
N-(6-methyl-4-phenylsulfanyl-2-pyridinyl)-1,3-benzothiazol-2-amine;propylcyclohexane has a molecular weight of 475.73 g/mol, XLogP of 9.26, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methyl-4-phenylsulfanyl-2-pyridinyl)-1,3-benzothiazol-2-amine;propylcyclohexane is sourced from PubChem (CID 144988240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).