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

C12H20N2S2 — CID 43530678

IUPAC[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cycloheptyl]methanamine
SMILESCc1csc(SC2CCCCCC2CN)n1
InChIInChI=1S/C12H20N2S2/c1-9-8-15-12(14-9)16-11-6-4-2-3-5-10(11)7-13/h8,10-11H,2-7,13H2,1H3
InChIKeyGDZYRSZEPJHTHW-UHFFFAOYSA-N
MW256.44 g/mol
LogP3.45
Rot. Bonds3

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

[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cycloheptyl]methanamine (PubChem CID 43530678) has the molecular formula C12H20N2S2 and a molecular weight of 256.44 g/mol. Its IUPAC name is [2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cycloheptyl]methanamine.

Molecular Properties

Compound Name[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cycloheptyl]methanamine
PubChem CID43530678
Molecular FormulaC12H20N2S2
Molecular Weight256.44 g/mol
Exact Mass256.11
IUPAC Name[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cycloheptyl]methanamine
SMILESCc1csc(SC2CCCCCC2CN)n1
InChIInChI=1S/C12H20N2S2/c1-9-8-15-12(14-9)16-11-6-4-2-3-5-10(11)7-13/h8,10-11H,2-7,13H2,1H3
InChIKeyGDZYRSZEPJHTHW-UHFFFAOYSA-N
XLogP3.45
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.44
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-Methyl-1,3-thiazol-2-yl)cycloheptan-1-amine hydrochloride
CID 45791856
1-(4-Methyl-1,3-thiazol-2-yl)cycloheptan-1-amine
CID 45791857
3-Fluoro-4-(4-methyl-1,3-thiazol-2-yl)-2-propan-2-ylbutan-1-amine
CID 107443532
2-Cycloheptyl-4-methyl-1,3-thiazole
CID 104468447
2-(2-Ethylhexylsulfanyl)-4-methyl-1,3-thiazole
CID 141400937
2-[(4-Methyl-1,3-thiazol-2-yl)sulfanyl]cycloheptane-1-carbonitrile
CID 43293183
3-[(4-Methyl-1,3-thiazol-2-yl)sulfanyl]pentan-1-amine
CID 43530665
2-Methyl-3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propan-1-amine
CID 43530666
[2-[(4-Methyl-1,3-thiazol-2-yl)sulfanyl]cyclopentyl]methanamine
CID 43530674
[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

Frequently Asked Questions

What is the IUPAC name of [2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cycloheptyl]methanamine?
The IUPAC name of [2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cycloheptyl]methanamine (CID 43530678) is [2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cycloheptyl]methanamine.
What is the SMILES notation for [2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cycloheptyl]methanamine?
The canonical SMILES for [2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cycloheptyl]methanamine is Cc1csc(SC2CCCCCC2CN)n1.
What is the InChIKey of [2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cycloheptyl]methanamine?
The InChIKey is GDZYRSZEPJHTHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2S2/c1-9-8-15-12(14-9)16-11-6-4-2-3-5-10(11)7-13/h8,10-11H,2-7,13H2,1H3.
What are the key properties of [2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cycloheptyl]methanamine?
[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cycloheptyl]methanamine has a molecular weight of 256.44 g/mol, XLogP of 3.45, 3 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]cycloheptyl]methanamine is sourced from PubChem (CID 43530678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).