N-(cyclohexylmethyl)-N,4-dimethyl-1,3-thiazol-2-amine

C12H20N2S — CID 20647124

IUPACN-(cyclohexylmethyl)-N,4-dimethyl-1,3-thiazol-2-amine
SMILESCc1csc(N(C)CC2CCCCC2)n1
InChIInChI=1S/C12H20N2S/c1-10-9-15-12(13-10)14(2)8-11-6-4-3-5-7-11/h9,11H,3-8H2,1-2H3
InChIKeyVFOXVRUCXAMHRF-UHFFFAOYSA-N
MW224.37 g/mol
LogP3.47
Rot. Bonds3

About N-(cyclohexylmethyl)-N,4-dimethyl-1,3-thiazol-2-amine

N-(cyclohexylmethyl)-N,4-dimethyl-1,3-thiazol-2-amine (PubChem CID 20647124) has the molecular formula C12H20N2S and a molecular weight of 224.37 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-N,4-dimethyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-N,4-dimethyl-1,3-thiazol-2-amine
PubChem CID20647124
Molecular FormulaC12H20N2S
Molecular Weight224.37 g/mol
Exact Mass224.13
IUPAC NameN-(cyclohexylmethyl)-N,4-dimethyl-1,3-thiazol-2-amine
SMILESCc1csc(N(C)CC2CCCCC2)n1
InChIInChI=1S/C12H20N2S/c1-10-9-15-12(13-10)14(2)8-11-6-4-3-5-7-11/h9,11H,3-8H2,1-2H3
InChIKeyVFOXVRUCXAMHRF-UHFFFAOYSA-N
XLogP3.47
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.37
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-N,4-dimethyl-1,3-thiazol-2-amine?
The IUPAC name of N-(cyclohexylmethyl)-N,4-dimethyl-1,3-thiazol-2-amine (CID 20647124) is N-(cyclohexylmethyl)-N,4-dimethyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-(cyclohexylmethyl)-N,4-dimethyl-1,3-thiazol-2-amine?
The canonical SMILES for N-(cyclohexylmethyl)-N,4-dimethyl-1,3-thiazol-2-amine is Cc1csc(N(C)CC2CCCCC2)n1.
What is the InChIKey of N-(cyclohexylmethyl)-N,4-dimethyl-1,3-thiazol-2-amine?
The InChIKey is VFOXVRUCXAMHRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2S/c1-10-9-15-12(13-10)14(2)8-11-6-4-3-5-7-11/h9,11H,3-8H2,1-2H3.
What are the key properties of N-(cyclohexylmethyl)-N,4-dimethyl-1,3-thiazol-2-amine?
N-(cyclohexylmethyl)-N,4-dimethyl-1,3-thiazol-2-amine has a molecular weight of 224.37 g/mol, XLogP of 3.47, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-N,4-dimethyl-1,3-thiazol-2-amine is sourced from PubChem (CID 20647124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).