[2-(cyclohexylsulfanylmethyl)-1,3-thiazol-4-yl]methanamine

C11H18N2S2 — CID 65144067

IUPAC[2-(cyclohexylsulfanylmethyl)-1,3-thiazol-4-yl]methanamine
SMILESNCc1csc(CSC2CCCCC2)n1
InChIInChI=1S/C11H18N2S2/c12-6-9-7-15-11(13-9)8-14-10-4-2-1-3-5-10/h7,10H,1-6,8,12H2
InChIKeyPYHQRNWMUQRLMV-UHFFFAOYSA-N
MW242.41 g/mol
LogP3.17
Rot. Bonds4

About [2-(cyclohexylsulfanylmethyl)-1,3-thiazol-4-yl]methanamine

[2-(cyclohexylsulfanylmethyl)-1,3-thiazol-4-yl]methanamine (PubChem CID 65144067) has the molecular formula C11H18N2S2 and a molecular weight of 242.41 g/mol. Its IUPAC name is [2-(cyclohexylsulfanylmethyl)-1,3-thiazol-4-yl]methanamine.

Molecular Properties

Compound Name[2-(cyclohexylsulfanylmethyl)-1,3-thiazol-4-yl]methanamine
PubChem CID65144067
Molecular FormulaC11H18N2S2
Molecular Weight242.41 g/mol
Exact Mass242.09
IUPAC Name[2-(cyclohexylsulfanylmethyl)-1,3-thiazol-4-yl]methanamine
SMILESNCc1csc(CSC2CCCCC2)n1
InChIInChI=1S/C11H18N2S2/c12-6-9-7-15-11(13-9)8-14-10-4-2-1-3-5-10/h7,10H,1-6,8,12H2
InChIKeyPYHQRNWMUQRLMV-UHFFFAOYSA-N
XLogP3.17
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.41
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-Methyl-1,3-thiazol-2-yl)methanamine
CID 4667189
Methyl((4-methyl-1,3-thiazol-2-yl)methyl)amine
CID 3928654
[(2-Ethyl-1,3-thiazol-4-yl)methyl](methyl)amine
CID 16494968
Methyl[(2-methyl-1,3-thiazol-4-yl)methyl]amine
CID 18939489
1-(2-Methyl-1,3-Thiazol-4-Yl)Methanamine Dihydrochloride
CID 45595358
2-(Dimethylaminomethyl)-4-(2-aminoethylthiomethyl)thiazole
CID 10977318
(2-Methylthiazol-4-yl)MethanaMine
CID 18467479
({2-[(Methylthio)methyl]-1,3-thiazol-4-yl}methyl)amine
CID 37134626
({2-[(Methylthio)methyl]-1,3-thiazol-4-yl}methyl)amine hydrochloride
CID 50944242
(2-Ethyl-1,3-thiazol-4-yl)methanamine hydrochloride
CID 137952079
(2-Methylthiazol-4-yl)methanamine hydrochloride
CID 24206439
(4-Methylthiazol-2-YL)methanamine hydrochloride
CID 72211249

Frequently Asked Questions

What is the IUPAC name of [2-(cyclohexylsulfanylmethyl)-1,3-thiazol-4-yl]methanamine?
The IUPAC name of [2-(cyclohexylsulfanylmethyl)-1,3-thiazol-4-yl]methanamine (CID 65144067) is [2-(cyclohexylsulfanylmethyl)-1,3-thiazol-4-yl]methanamine.
What is the SMILES notation for [2-(cyclohexylsulfanylmethyl)-1,3-thiazol-4-yl]methanamine?
The canonical SMILES for [2-(cyclohexylsulfanylmethyl)-1,3-thiazol-4-yl]methanamine is NCc1csc(CSC2CCCCC2)n1.
What is the InChIKey of [2-(cyclohexylsulfanylmethyl)-1,3-thiazol-4-yl]methanamine?
The InChIKey is PYHQRNWMUQRLMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2S2/c12-6-9-7-15-11(13-9)8-14-10-4-2-1-3-5-10/h7,10H,1-6,8,12H2.
What are the key properties of [2-(cyclohexylsulfanylmethyl)-1,3-thiazol-4-yl]methanamine?
[2-(cyclohexylsulfanylmethyl)-1,3-thiazol-4-yl]methanamine has a molecular weight of 242.41 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclohexylsulfanylmethyl)-1,3-thiazol-4-yl]methanamine is sourced from PubChem (CID 65144067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).