N-[1-(chloromethyl)-4-methylcyclohexyl]-4-methyl-1,3-thiazol-2-amine

C12H19ClN2S — CID 65028722

IUPACN-[1-(chloromethyl)-4-methylcyclohexyl]-4-methyl-1,3-thiazol-2-amine
SMILESCc1csc(NC2(CCl)CCC(C)CC2)n1
InChIInChI=1S/C12H19ClN2S/c1-9-3-5-12(8-13,6-4-9)15-11-14-10(2)7-16-11/h7,9H,3-6,8H2,1-2H3,(H,14,15)
InChIKeyDLAYLINOKHFMDK-UHFFFAOYSA-N
MW258.82 g/mol
LogP4.05
Rot. Bonds3

About N-[1-(chloromethyl)-4-methylcyclohexyl]-4-methyl-1,3-thiazol-2-amine

N-[1-(chloromethyl)-4-methylcyclohexyl]-4-methyl-1,3-thiazol-2-amine (PubChem CID 65028722) has the molecular formula C12H19ClN2S and a molecular weight of 258.82 g/mol. Its IUPAC name is N-[1-(chloromethyl)-4-methylcyclohexyl]-4-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[1-(chloromethyl)-4-methylcyclohexyl]-4-methyl-1,3-thiazol-2-amine
PubChem CID65028722
Molecular FormulaC12H19ClN2S
Molecular Weight258.82 g/mol
Exact Mass258.10
IUPAC NameN-[1-(chloromethyl)-4-methylcyclohexyl]-4-methyl-1,3-thiazol-2-amine
SMILESCc1csc(NC2(CCl)CCC(C)CC2)n1
InChIInChI=1S/C12H19ClN2S/c1-9-3-5-12(8-13,6-4-9)15-11-14-10(2)7-16-11/h7,9H,3-6,8H2,1-2H3,(H,14,15)
InChIKeyDLAYLINOKHFMDK-UHFFFAOYSA-N
XLogP4.05
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.82
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[1-(chloromethyl)-4-methylcyclohexyl]-4-methyl-1,3-thiazol-2-amine?
The IUPAC name of N-[1-(chloromethyl)-4-methylcyclohexyl]-4-methyl-1,3-thiazol-2-amine (CID 65028722) is N-[1-(chloromethyl)-4-methylcyclohexyl]-4-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-[1-(chloromethyl)-4-methylcyclohexyl]-4-methyl-1,3-thiazol-2-amine?
The canonical SMILES for N-[1-(chloromethyl)-4-methylcyclohexyl]-4-methyl-1,3-thiazol-2-amine is Cc1csc(NC2(CCl)CCC(C)CC2)n1.
What is the InChIKey of N-[1-(chloromethyl)-4-methylcyclohexyl]-4-methyl-1,3-thiazol-2-amine?
The InChIKey is DLAYLINOKHFMDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN2S/c1-9-3-5-12(8-13,6-4-9)15-11-14-10(2)7-16-11/h7,9H,3-6,8H2,1-2H3,(H,14,15).
What are the key properties of N-[1-(chloromethyl)-4-methylcyclohexyl]-4-methyl-1,3-thiazol-2-amine?
N-[1-(chloromethyl)-4-methylcyclohexyl]-4-methyl-1,3-thiazol-2-amine has a molecular weight of 258.82 g/mol, XLogP of 4.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(chloromethyl)-4-methylcyclohexyl]-4-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 65028722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).