N-cyclohexyl-4,5-dimethyl-1,3-thiazol-2-amine

C11H18N2S — CID 1218052

IUPACN-cyclohexyl-4,5-dimethyl-1,3-thiazol-2-amine
SMILESCc1nc(NC2CCCCC2)sc1C
InChIInChI=1S/C11H18N2S/c1-8-9(2)14-11(12-8)13-10-6-4-3-5-7-10/h10H,3-7H2,1-2H3,(H,12,13)
InChIKeyBJRLWKSAAGFCBZ-UHFFFAOYSA-N
MW210.35 g/mol
LogP3.50
Rot. Bonds2

About N-cyclohexyl-4,5-dimethyl-1,3-thiazol-2-amine

N-cyclohexyl-4,5-dimethyl-1,3-thiazol-2-amine (PubChem CID 1218052) has the molecular formula C11H18N2S and a molecular weight of 210.35 g/mol. Its IUPAC name is N-cyclohexyl-4,5-dimethyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-cyclohexyl-4,5-dimethyl-1,3-thiazol-2-amine
PubChem CID1218052
Molecular FormulaC11H18N2S
Molecular Weight210.35 g/mol
Exact Mass210.12
IUPAC NameN-cyclohexyl-4,5-dimethyl-1,3-thiazol-2-amine
SMILESCc1nc(NC2CCCCC2)sc1C
InChIInChI=1S/C11H18N2S/c1-8-9(2)14-11(12-8)13-10-6-4-3-5-7-10/h10H,3-7H2,1-2H3,(H,12,13)
InChIKeyBJRLWKSAAGFCBZ-UHFFFAOYSA-N
XLogP3.50
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.35
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4,5-dimethyl-1,3-thiazol-2-amine?
The IUPAC name of N-cyclohexyl-4,5-dimethyl-1,3-thiazol-2-amine (CID 1218052) is N-cyclohexyl-4,5-dimethyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-cyclohexyl-4,5-dimethyl-1,3-thiazol-2-amine?
The canonical SMILES for N-cyclohexyl-4,5-dimethyl-1,3-thiazol-2-amine is Cc1nc(NC2CCCCC2)sc1C.
What is the InChIKey of N-cyclohexyl-4,5-dimethyl-1,3-thiazol-2-amine?
The InChIKey is BJRLWKSAAGFCBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2S/c1-8-9(2)14-11(12-8)13-10-6-4-3-5-7-10/h10H,3-7H2,1-2H3,(H,12,13).
What are the key properties of N-cyclohexyl-4,5-dimethyl-1,3-thiazol-2-amine?
N-cyclohexyl-4,5-dimethyl-1,3-thiazol-2-amine has a molecular weight of 210.35 g/mol, XLogP of 3.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4,5-dimethyl-1,3-thiazol-2-amine is sourced from PubChem (CID 1218052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).