N-(6-methyl-4-phenylsulfanyl-2-pyridinyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-amine;propylcyclohexane

C27H35N3S2 — CID 144988118

IUPACN-(6-methyl-4-phenylsulfanyl-2-pyridinyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-amine;propylcyclohexane
SMILESCCCC1CCCCC1.Cc1cc(Sc2ccccc2)cc(Nc2nc3c(s2)CCC3)n1
InChIInChI=1S/C18H17N3S2.C9H18/c1-12-10-14(22-13-6-3-2-4-7-13)11-17(19-12)21-18-20-15-8-5-9-16(15)23-18;1-2-6-9-7-4-3-5-8-9/h2-4,6-7,10-11H,5,8-9H2,1H3,(H,19,20,21);9H,2-8H2,1H3
InChIKeyRQMHGWRQLWQUFN-UHFFFAOYSA-N
MW465.73 g/mol
LogP8.60
Rot. Bonds6

About N-(6-methyl-4-phenylsulfanyl-2-pyridinyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-amine;propylcyclohexane

N-(6-methyl-4-phenylsulfanyl-2-pyridinyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-amine;propylcyclohexane (PubChem CID 144988118) has the molecular formula C27H35N3S2 and a molecular weight of 465.73 g/mol. Its IUPAC name is N-(6-methyl-4-phenylsulfanyl-2-pyridinyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-amine;propylcyclohexane.

Molecular Properties

Compound NameN-(6-methyl-4-phenylsulfanyl-2-pyridinyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-amine;propylcyclohexane
PubChem CID144988118
Molecular FormulaC27H35N3S2
Molecular Weight465.73 g/mol
Exact Mass465.23
IUPAC NameN-(6-methyl-4-phenylsulfanyl-2-pyridinyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-amine;propylcyclohexane
SMILESCCCC1CCCCC1.Cc1cc(Sc2ccccc2)cc(Nc2nc3c(s2)CCC3)n1
InChIInChI=1S/C18H17N3S2.C9H18/c1-12-10-14(22-13-6-3-2-4-7-13)11-17(19-12)21-18-20-15-8-5-9-16(15)23-18;1-2-6-9-7-4-3-5-8-9/h2-4,6-7,10-11H,5,8-9H2,1H3,(H,19,20,21);9H,2-8H2,1H3
InChIKeyRQMHGWRQLWQUFN-UHFFFAOYSA-N
XLogP8.60
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.73
LogP ≤ 58.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(6-methyl-4-phenylsulfanyl-2-pyridinyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-amine;propylcyclohexane?
The IUPAC name of N-(6-methyl-4-phenylsulfanyl-2-pyridinyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-amine;propylcyclohexane (CID 144988118) is N-(6-methyl-4-phenylsulfanyl-2-pyridinyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-amine;propylcyclohexane.
What is the SMILES notation for N-(6-methyl-4-phenylsulfanyl-2-pyridinyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-amine;propylcyclohexane?
The canonical SMILES for N-(6-methyl-4-phenylsulfanyl-2-pyridinyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-amine;propylcyclohexane is CCCC1CCCCC1.Cc1cc(Sc2ccccc2)cc(Nc2nc3c(s2)CCC3)n1.
What is the InChIKey of N-(6-methyl-4-phenylsulfanyl-2-pyridinyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-amine;propylcyclohexane?
The InChIKey is RQMHGWRQLWQUFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3S2.C9H18/c1-12-10-14(22-13-6-3-2-4-7-13)11-17(19-12)21-18-20-15-8-5-9-16(15)23-18;1-2-6-9-7-4-3-5-8-9/h2-4,6-7,10-11H,5,8-9H2,1H3,(H,19,20,21);9H,2-8H2,1H3.
What are the key properties of N-(6-methyl-4-phenylsulfanyl-2-pyridinyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-amine;propylcyclohexane?
N-(6-methyl-4-phenylsulfanyl-2-pyridinyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-amine;propylcyclohexane has a molecular weight of 465.73 g/mol, XLogP of 8.60, 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)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-amine;propylcyclohexane is sourced from PubChem (CID 144988118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).