N-[(2-chloro-1,3-thiazol-4-yl)methyl]-N-methylcyclohexanamine

C11H17ClN2S — CID 130552489

IUPACN-[(2-chloro-1,3-thiazol-4-yl)methyl]-N-methylcyclohexanamine
SMILESCN(Cc1csc(Cl)n1)C1CCCCC1
InChIInChI=1S/C11H17ClN2S/c1-14(10-5-3-2-4-6-10)7-9-8-15-11(12)13-9/h8,10H,2-7H2,1H3
InChIKeyFJHVVMYHSICCID-UHFFFAOYSA-N
MW244.79 g/mol
LogP3.56
Rot. Bonds3

About N-[(2-chloro-1,3-thiazol-4-yl)methyl]-N-methylcyclohexanamine

N-[(2-chloro-1,3-thiazol-4-yl)methyl]-N-methylcyclohexanamine (PubChem CID 130552489) has the molecular formula C11H17ClN2S and a molecular weight of 244.79 g/mol. Its IUPAC name is N-[(2-chloro-1,3-thiazol-4-yl)methyl]-N-methylcyclohexanamine.

Molecular Properties

Compound NameN-[(2-chloro-1,3-thiazol-4-yl)methyl]-N-methylcyclohexanamine
PubChem CID130552489
Molecular FormulaC11H17ClN2S
Molecular Weight244.79 g/mol
Exact Mass244.08
IUPAC NameN-[(2-chloro-1,3-thiazol-4-yl)methyl]-N-methylcyclohexanamine
SMILESCN(Cc1csc(Cl)n1)C1CCCCC1
InChIInChI=1S/C11H17ClN2S/c1-14(10-5-3-2-4-6-10)7-9-8-15-11(12)13-9/h8,10H,2-7H2,1H3
InChIKeyFJHVVMYHSICCID-UHFFFAOYSA-N
XLogP3.56
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.79
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-(2-aminoethyl)-1,3-thiazol-4-yl]methyl]-N-methylcycloheptanamine
CID 66388826
N-methyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]cyclopropanamine
CID 126762296
N-[2-[4-(chloromethyl)-1,3-thiazol-2-yl]ethyl]-N-methylcycloheptanamine
CID 43614327
N-[3-[4-(chloromethyl)-1,3-thiazol-2-yl]propyl]-N-methylcycloheptanamine
CID 43614325
N-methyl-N-[(4-trimethylsilylphenyl)methyl]cycloheptanamine
CID 103438311
N-methyl-N-[(4-trimethylsilylphenyl)methyl]cyclohexanamine
CID 103438253
N-[[5-(aminomethyl)thiophen-2-yl]methyl]-N-methylcyclohexanamine
CID 107555614
2-chloro-4-[(2-methylazepan-1-yl)methyl]-1,3-thiazole
CID 130552539
2-[[2-(1-benzofuran-2-yl)-1,3-thiazol-4-yl]methyl-methylamino]-N-cyclohexyl-N-methylacetamide
CID 167860490
N-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-N-methylcycloheptanamine
CID 80664231
N-[(6-hydrazinyl-2-pyridinyl)methyl]-N-methylcyclohexanamine
CID 79243666
N-[(6-hydrazinyl-2-pyridinyl)methyl]-N-methylcycloheptanamine
CID 79243284

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-1,3-thiazol-4-yl)methyl]-N-methylcyclohexanamine?
The IUPAC name of N-[(2-chloro-1,3-thiazol-4-yl)methyl]-N-methylcyclohexanamine (CID 130552489) is N-[(2-chloro-1,3-thiazol-4-yl)methyl]-N-methylcyclohexanamine.
What is the SMILES notation for N-[(2-chloro-1,3-thiazol-4-yl)methyl]-N-methylcyclohexanamine?
The canonical SMILES for N-[(2-chloro-1,3-thiazol-4-yl)methyl]-N-methylcyclohexanamine is CN(Cc1csc(Cl)n1)C1CCCCC1.
What is the InChIKey of N-[(2-chloro-1,3-thiazol-4-yl)methyl]-N-methylcyclohexanamine?
The InChIKey is FJHVVMYHSICCID-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2S/c1-14(10-5-3-2-4-6-10)7-9-8-15-11(12)13-9/h8,10H,2-7H2,1H3.
What are the key properties of N-[(2-chloro-1,3-thiazol-4-yl)methyl]-N-methylcyclohexanamine?
N-[(2-chloro-1,3-thiazol-4-yl)methyl]-N-methylcyclohexanamine has a molecular weight of 244.79 g/mol, XLogP of 3.56, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-1,3-thiazol-4-yl)methyl]-N-methylcyclohexanamine is sourced from PubChem (CID 130552489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).