4-chloro-N-(4,4-dimethylcyclohexyl)-N-methyl-1,3-thiazol-2-amine

C12H19ClN2S — CID 83157215

IUPAC4-chloro-N-(4,4-dimethylcyclohexyl)-N-methyl-1,3-thiazol-2-amine
SMILESCN(c1nc(Cl)cs1)C1CCC(C)(C)CC1
InChIInChI=1S/C12H19ClN2S/c1-12(2)6-4-9(5-7-12)15(3)11-14-10(13)8-16-11/h8-9H,4-7H2,1-3H3
InChIKeySATTWPKTVHGACP-UHFFFAOYSA-N
MW258.82 g/mol
LogP4.20
Rot. Bonds2

About 4-chloro-N-(4,4-dimethylcyclohexyl)-N-methyl-1,3-thiazol-2-amine

4-chloro-N-(4,4-dimethylcyclohexyl)-N-methyl-1,3-thiazol-2-amine (PubChem CID 83157215) has the molecular formula C12H19ClN2S and a molecular weight of 258.82 g/mol. Its IUPAC name is 4-chloro-N-(4,4-dimethylcyclohexyl)-N-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-chloro-N-(4,4-dimethylcyclohexyl)-N-methyl-1,3-thiazol-2-amine
PubChem CID83157215
Molecular FormulaC12H19ClN2S
Molecular Weight258.82 g/mol
Exact Mass258.10
IUPAC Name4-chloro-N-(4,4-dimethylcyclohexyl)-N-methyl-1,3-thiazol-2-amine
SMILESCN(c1nc(Cl)cs1)C1CCC(C)(C)CC1
InChIInChI=1S/C12H19ClN2S/c1-12(2)6-4-9(5-7-12)15(3)11-14-10(13)8-16-11/h8-9H,4-7H2,1-3H3
InChIKeySATTWPKTVHGACP-UHFFFAOYSA-N
XLogP4.20
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.82
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(4,4-dimethylcyclohexyl)-N-methyl-1,3-thiazol-2-amine?
The IUPAC name of 4-chloro-N-(4,4-dimethylcyclohexyl)-N-methyl-1,3-thiazol-2-amine (CID 83157215) is 4-chloro-N-(4,4-dimethylcyclohexyl)-N-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for 4-chloro-N-(4,4-dimethylcyclohexyl)-N-methyl-1,3-thiazol-2-amine?
The canonical SMILES for 4-chloro-N-(4,4-dimethylcyclohexyl)-N-methyl-1,3-thiazol-2-amine is CN(c1nc(Cl)cs1)C1CCC(C)(C)CC1.
What is the InChIKey of 4-chloro-N-(4,4-dimethylcyclohexyl)-N-methyl-1,3-thiazol-2-amine?
The InChIKey is SATTWPKTVHGACP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN2S/c1-12(2)6-4-9(5-7-12)15(3)11-14-10(13)8-16-11/h8-9H,4-7H2,1-3H3.
What are the key properties of 4-chloro-N-(4,4-dimethylcyclohexyl)-N-methyl-1,3-thiazol-2-amine?
4-chloro-N-(4,4-dimethylcyclohexyl)-N-methyl-1,3-thiazol-2-amine has a molecular weight of 258.82 g/mol, XLogP of 4.20, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(4,4-dimethylcyclohexyl)-N-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 83157215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).