(2-cyclohexyl-4-methyl-2,3-dihydro-1,3-thiazol-5-yl)methanamine

C11H20N2S — CID 134243556

IUPAC(2-cyclohexyl-4-methyl-2,3-dihydro-1,3-thiazol-5-yl)methanamine
SMILESCC1=C(CN)SC(C2CCCCC2)N1
InChIInChI=1S/C11H20N2S/c1-8-10(7-12)14-11(13-8)9-5-3-2-4-6-9/h9,11,13H,2-7,12H2,1H3
InChIKeyASALKQZLNUIZLC-UHFFFAOYSA-N
MW212.36 g/mol
LogP2.42
Rot. Bonds2

About (2-cyclohexyl-4-methyl-2,3-dihydro-1,3-thiazol-5-yl)methanamine

(2-cyclohexyl-4-methyl-2,3-dihydro-1,3-thiazol-5-yl)methanamine (PubChem CID 134243556) has the molecular formula C11H20N2S and a molecular weight of 212.36 g/mol. Its IUPAC name is (2-cyclohexyl-4-methyl-2,3-dihydro-1,3-thiazol-5-yl)methanamine.

Molecular Properties

Compound Name(2-cyclohexyl-4-methyl-2,3-dihydro-1,3-thiazol-5-yl)methanamine
PubChem CID134243556
Molecular FormulaC11H20N2S
Molecular Weight212.36 g/mol
Exact Mass212.13
IUPAC Name(2-cyclohexyl-4-methyl-2,3-dihydro-1,3-thiazol-5-yl)methanamine
SMILESCC1=C(CN)SC(C2CCCCC2)N1
InChIInChI=1S/C11H20N2S/c1-8-10(7-12)14-11(13-8)9-5-3-2-4-6-9/h9,11,13H,2-7,12H2,1H3
InChIKeyASALKQZLNUIZLC-UHFFFAOYSA-N
XLogP2.42
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.36
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-cyclohexyl-4-methyl-2,3-dihydro-1,3-thiazol-5-yl)methanamine?
The IUPAC name of (2-cyclohexyl-4-methyl-2,3-dihydro-1,3-thiazol-5-yl)methanamine (CID 134243556) is (2-cyclohexyl-4-methyl-2,3-dihydro-1,3-thiazol-5-yl)methanamine.
What is the SMILES notation for (2-cyclohexyl-4-methyl-2,3-dihydro-1,3-thiazol-5-yl)methanamine?
The canonical SMILES for (2-cyclohexyl-4-methyl-2,3-dihydro-1,3-thiazol-5-yl)methanamine is CC1=C(CN)SC(C2CCCCC2)N1.
What is the InChIKey of (2-cyclohexyl-4-methyl-2,3-dihydro-1,3-thiazol-5-yl)methanamine?
The InChIKey is ASALKQZLNUIZLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2S/c1-8-10(7-12)14-11(13-8)9-5-3-2-4-6-9/h9,11,13H,2-7,12H2,1H3.
What are the key properties of (2-cyclohexyl-4-methyl-2,3-dihydro-1,3-thiazol-5-yl)methanamine?
(2-cyclohexyl-4-methyl-2,3-dihydro-1,3-thiazol-5-yl)methanamine has a molecular weight of 212.36 g/mol, XLogP of 2.42, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyclohexyl-4-methyl-2,3-dihydro-1,3-thiazol-5-yl)methanamine is sourced from PubChem (CID 134243556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).