[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-4-phenylcyclohexyl]methanamine

C17H22N2S2 — CID 43530673

IUPAC[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-4-phenylcyclohexyl]methanamine
SMILESCc1csc(SC2CC(c3ccccc3)CCC2CN)n1
InChIInChI=1S/C17H22N2S2/c1-12-11-20-17(19-12)21-16-9-14(7-8-15(16)10-18)13-5-3-2-4-6-13/h2-6,11,14-16H,7-10,18H2,1H3
InChIKeyBUNNIDXKECEHOJ-UHFFFAOYSA-N
MW318.51 g/mol
LogP4.45
Rot. Bonds4

About [2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-4-phenylcyclohexyl]methanamine

[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-4-phenylcyclohexyl]methanamine (PubChem CID 43530673) has the molecular formula C17H22N2S2 and a molecular weight of 318.51 g/mol. Its IUPAC name is [2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-4-phenylcyclohexyl]methanamine.

Molecular Properties

Compound Name[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-4-phenylcyclohexyl]methanamine
PubChem CID43530673
Molecular FormulaC17H22N2S2
Molecular Weight318.51 g/mol
Exact Mass318.12
IUPAC Name[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-4-phenylcyclohexyl]methanamine
SMILESCc1csc(SC2CC(c3ccccc3)CCC2CN)n1
InChIInChI=1S/C17H22N2S2/c1-12-11-20-17(19-12)21-16-9-14(7-8-15(16)10-18)13-5-3-2-4-6-13/h2-6,11,14-16H,7-10,18H2,1H3
InChIKeyBUNNIDXKECEHOJ-UHFFFAOYSA-N
XLogP4.45
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.51
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-4-phenylcyclohexyl]methanamine?
The IUPAC name of [2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-4-phenylcyclohexyl]methanamine (CID 43530673) is [2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-4-phenylcyclohexyl]methanamine.
What is the SMILES notation for [2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-4-phenylcyclohexyl]methanamine?
The canonical SMILES for [2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-4-phenylcyclohexyl]methanamine is Cc1csc(SC2CC(c3ccccc3)CCC2CN)n1.
What is the InChIKey of [2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-4-phenylcyclohexyl]methanamine?
The InChIKey is BUNNIDXKECEHOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2S2/c1-12-11-20-17(19-12)21-16-9-14(7-8-15(16)10-18)13-5-3-2-4-6-13/h2-6,11,14-16H,7-10,18H2,1H3.
What are the key properties of [2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-4-phenylcyclohexyl]methanamine?
[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-4-phenylcyclohexyl]methanamine has a molecular weight of 318.51 g/mol, XLogP of 4.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-4-phenylcyclohexyl]methanamine is sourced from PubChem (CID 43530673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).