N-[2-[4-(chloromethyl)-1,3-thiazol-2-yl]ethyl]-4-ethyl-N-methylcyclohexan-1-amine

C15H25ClN2S — CID 61449114

IUPACN-[2-[4-(chloromethyl)-1,3-thiazol-2-yl]ethyl]-4-ethyl-N-methylcyclohexan-1-amine
SMILESCCC1CCC(N(C)CCc2nc(CCl)cs2)CC1
InChIInChI=1S/C15H25ClN2S/c1-3-12-4-6-14(7-5-12)18(2)9-8-15-17-13(10-16)11-19-15/h11-12,14H,3-10H2,1-2H3
InChIKeyXRIBEPBKHAJFFW-UHFFFAOYSA-N
MW300.90 g/mol
LogP4.32
Rot. Bonds6

About N-[2-[4-(chloromethyl)-1,3-thiazol-2-yl]ethyl]-4-ethyl-N-methylcyclohexan-1-amine

N-[2-[4-(chloromethyl)-1,3-thiazol-2-yl]ethyl]-4-ethyl-N-methylcyclohexan-1-amine (PubChem CID 61449114) has the molecular formula C15H25ClN2S and a molecular weight of 300.90 g/mol. Its IUPAC name is N-[2-[4-(chloromethyl)-1,3-thiazol-2-yl]ethyl]-4-ethyl-N-methylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[2-[4-(chloromethyl)-1,3-thiazol-2-yl]ethyl]-4-ethyl-N-methylcyclohexan-1-amine
PubChem CID61449114
Molecular FormulaC15H25ClN2S
Molecular Weight300.90 g/mol
Exact Mass300.14
IUPAC NameN-[2-[4-(chloromethyl)-1,3-thiazol-2-yl]ethyl]-4-ethyl-N-methylcyclohexan-1-amine
SMILESCCC1CCC(N(C)CCc2nc(CCl)cs2)CC1
InChIInChI=1S/C15H25ClN2S/c1-3-12-4-6-14(7-5-12)18(2)9-8-15-17-13(10-16)11-19-15/h11-12,14H,3-10H2,1-2H3
InChIKeyXRIBEPBKHAJFFW-UHFFFAOYSA-N
XLogP4.32
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.90
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(Chloromethyl)-2-cyclohexyl-1,3-thiazole
CID 39870396
3-(2-Cyclohexylethyl)-2,4-dimethyl-1,3-thiazol-3-ium
CID 411006
3-(2-Cyclohexylethyl)-2,4-dimethyl-1,3-thiazol-3-ium bromide
CID 24184099
4-(Chloromethyl)-2-[1-[3-(trifluoromethyl)piperidin-1-yl]ethyl]-1,3-thiazole
CID 65537725
4-(Chloromethyl)-2-[3-[3-(trifluoromethyl)piperidin-1-yl]propyl]-1,3-thiazole
CID 65537920
4-(Chloromethyl)-2-[4-[3-(trifluoromethyl)piperidin-1-yl]butyl]-1,3-thiazole
CID 65537921
4-(Chloromethyl)-2-[2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]-1,3-thiazole
CID 65537922
4-(Chloromethyl)-2-[1-[3-(trifluoromethyl)piperidin-1-yl]propyl]-1,3-thiazole
CID 65538110
4-(Chloromethyl)-2-[1-[4-(trifluoromethyl)piperidin-1-yl]ethyl]-1,3-thiazole
CID 65538301
4-(Chloromethyl)-2-[3-[4-(trifluoromethyl)piperidin-1-yl]propyl]-1,3-thiazole
CID 65538302
4-(Chloromethyl)-2-[4-[4-(trifluoromethyl)piperidin-1-yl]butyl]-1,3-thiazole
CID 65538492
4-(Chloromethyl)-2-[2-[4-(trifluoromethyl)piperidin-1-yl]ethyl]-1,3-thiazole
CID 65538678

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(chloromethyl)-1,3-thiazol-2-yl]ethyl]-4-ethyl-N-methylcyclohexan-1-amine?
The IUPAC name of N-[2-[4-(chloromethyl)-1,3-thiazol-2-yl]ethyl]-4-ethyl-N-methylcyclohexan-1-amine (CID 61449114) is N-[2-[4-(chloromethyl)-1,3-thiazol-2-yl]ethyl]-4-ethyl-N-methylcyclohexan-1-amine.
What is the SMILES notation for N-[2-[4-(chloromethyl)-1,3-thiazol-2-yl]ethyl]-4-ethyl-N-methylcyclohexan-1-amine?
The canonical SMILES for N-[2-[4-(chloromethyl)-1,3-thiazol-2-yl]ethyl]-4-ethyl-N-methylcyclohexan-1-amine is CCC1CCC(N(C)CCc2nc(CCl)cs2)CC1.
What is the InChIKey of N-[2-[4-(chloromethyl)-1,3-thiazol-2-yl]ethyl]-4-ethyl-N-methylcyclohexan-1-amine?
The InChIKey is XRIBEPBKHAJFFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25ClN2S/c1-3-12-4-6-14(7-5-12)18(2)9-8-15-17-13(10-16)11-19-15/h11-12,14H,3-10H2,1-2H3.
What are the key properties of N-[2-[4-(chloromethyl)-1,3-thiazol-2-yl]ethyl]-4-ethyl-N-methylcyclohexan-1-amine?
N-[2-[4-(chloromethyl)-1,3-thiazol-2-yl]ethyl]-4-ethyl-N-methylcyclohexan-1-amine has a molecular weight of 300.90 g/mol, XLogP of 4.32, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(chloromethyl)-1,3-thiazol-2-yl]ethyl]-4-ethyl-N-methylcyclohexan-1-amine is sourced from PubChem (CID 61449114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).