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

C16H28N2S2 — CID 43530680

IUPAC[4-(2-methylbutan-2-yl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclohexyl]methanamine
SMILESCCC(C)(C)C1CCC(CN)C(Sc2nc(C)cs2)C1
InChIInChI=1S/C16H28N2S2/c1-5-16(3,4)13-7-6-12(9-17)14(8-13)20-15-18-11(2)10-19-15/h10,12-14H,5-9,17H2,1-4H3
InChIKeyJTCQGWVQJSEZMS-UHFFFAOYSA-N
MW312.55 g/mol
LogP4.72
Rot. Bonds5

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

[4-(2-methylbutan-2-yl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclohexyl]methanamine (PubChem CID 43530680) has the molecular formula C16H28N2S2 and a molecular weight of 312.55 g/mol. Its IUPAC name is [4-(2-methylbutan-2-yl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclohexyl]methanamine.

Molecular Properties

Compound Name[4-(2-methylbutan-2-yl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclohexyl]methanamine
PubChem CID43530680
Molecular FormulaC16H28N2S2
Molecular Weight312.55 g/mol
Exact Mass312.17
IUPAC Name[4-(2-methylbutan-2-yl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclohexyl]methanamine
SMILESCCC(C)(C)C1CCC(CN)C(Sc2nc(C)cs2)C1
InChIInChI=1S/C16H28N2S2/c1-5-16(3,4)13-7-6-12(9-17)14(8-13)20-15-18-11(2)10-19-15/h10,12-14H,5-9,17H2,1-4H3
InChIKeyJTCQGWVQJSEZMS-UHFFFAOYSA-N
XLogP4.72
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.55
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [4-(2-methylbutan-2-yl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclohexyl]methanamine with MolForge

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Related Compounds

4-Tert-butyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclohexane-1-carbonitrile
CID 43293178
4-(2-Methylbutan-2-yl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclohexane-1-carbonitrile
CID 43293179
[2-[(4-Methyl-1,3-thiazol-2-yl)sulfanyl]-4-propylcyclohexyl]methanamine
CID 43530675
[4-Ethyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclohexyl]methanamine
CID 43530676
[4-Methyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclohexyl]methanamine
CID 43530677
[2-[(4-Methyl-1,3-thiazol-2-yl)sulfanyl]cycloheptyl]methanamine
CID 43530678
[2-[(4-Methyl-1,3-thiazol-2-yl)sulfanyl]cyclohexyl]methanamine
CID 43530679
[4-Tert-butyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclohexyl]methanamine
CID 43530681
2-tert-butyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]cyclohexan-1-amine
CID 54913023
2-methyl-N-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethyl]cyclohexan-1-amine
CID 55092533
4-tert-butyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]cyclohexan-1-amine
CID 60759997
4-tert-butyl-N-ethyl-1-(4-methyl-1,3-thiazol-2-yl)cyclohexan-1-amine
CID 61330213

Frequently Asked Questions

What is the IUPAC name of [4-(2-methylbutan-2-yl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclohexyl]methanamine?
The IUPAC name of [4-(2-methylbutan-2-yl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclohexyl]methanamine (CID 43530680) is [4-(2-methylbutan-2-yl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclohexyl]methanamine.
What is the SMILES notation for [4-(2-methylbutan-2-yl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclohexyl]methanamine?
The canonical SMILES for [4-(2-methylbutan-2-yl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclohexyl]methanamine is CCC(C)(C)C1CCC(CN)C(Sc2nc(C)cs2)C1.
What is the InChIKey of [4-(2-methylbutan-2-yl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclohexyl]methanamine?
The InChIKey is JTCQGWVQJSEZMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2S2/c1-5-16(3,4)13-7-6-12(9-17)14(8-13)20-15-18-11(2)10-19-15/h10,12-14H,5-9,17H2,1-4H3.
What are the key properties of [4-(2-methylbutan-2-yl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclohexyl]methanamine?
[4-(2-methylbutan-2-yl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclohexyl]methanamine has a molecular weight of 312.55 g/mol, XLogP of 4.72, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methylbutan-2-yl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclohexyl]methanamine is sourced from PubChem (CID 43530680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).