N-cycloheptyl-N,4-dimethyl-5-[1-(methylamino)ethyl]-1,3-thiazol-2-amine

C15H27N3S — CID 62750110

IUPACN-cycloheptyl-N,4-dimethyl-5-[1-(methylamino)ethyl]-1,3-thiazol-2-amine
SMILESCNC(C)c1sc(N(C)C2CCCCCC2)nc1C
InChIInChI=1S/C15H27N3S/c1-11(16-3)14-12(2)17-15(19-14)18(4)13-9-7-5-6-8-10-13/h11,13,16H,5-10H2,1-4H3
InChIKeyMZAWMNQKJMCIPO-UHFFFAOYSA-N
MW281.47 g/mol
LogP3.89
Rot. Bonds4

About N-cycloheptyl-N,4-dimethyl-5-[1-(methylamino)ethyl]-1,3-thiazol-2-amine

N-cycloheptyl-N,4-dimethyl-5-[1-(methylamino)ethyl]-1,3-thiazol-2-amine (PubChem CID 62750110) has the molecular formula C15H27N3S and a molecular weight of 281.47 g/mol. Its IUPAC name is N-cycloheptyl-N,4-dimethyl-5-[1-(methylamino)ethyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-cycloheptyl-N,4-dimethyl-5-[1-(methylamino)ethyl]-1,3-thiazol-2-amine
PubChem CID62750110
Molecular FormulaC15H27N3S
Molecular Weight281.47 g/mol
Exact Mass281.19
IUPAC NameN-cycloheptyl-N,4-dimethyl-5-[1-(methylamino)ethyl]-1,3-thiazol-2-amine
SMILESCNC(C)c1sc(N(C)C2CCCCCC2)nc1C
InChIInChI=1S/C15H27N3S/c1-11(16-3)14-12(2)17-15(19-14)18(4)13-9-7-5-6-8-10-13/h11,13,16H,5-10H2,1-4H3
InChIKeyMZAWMNQKJMCIPO-UHFFFAOYSA-N
XLogP3.89
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.47
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopentyl-N,4-dimethyl-5-[1-(methylamino)ethyl]-1,3-thiazol-2-amine
CID 62750419
N-(1-ethylpiperidin-4-yl)-N,4-dimethyl-5-[1-(methylamino)ethyl]-1,3-thiazol-2-amine
CID 62754118
N,4-dimethyl-N-(4-methylcyclohexyl)-5-[1-(propylamino)ethyl]-1,3-thiazol-2-amine
CID 62754305
N,4-dimethyl-5-[1-(methylamino)ethyl]-N-(2-methylpropyl)-1,3-thiazol-2-amine
CID 62750586
5-[(tert-butylamino)methyl]-N-cyclohexyl-N,4-dimethyl-1,3-thiazol-2-amine
CID 62763955
N,4-dimethyl-N-(1-methylpiperidin-4-yl)-5-[1-(propylamino)ethyl]-1,3-thiazol-2-amine
CID 62751228
N,4-dimethyl-5-[1-(methylamino)ethyl]-N-pentan-3-yl-1,3-thiazol-2-amine
CID 62751969
N-(3-fluorophenyl)-N,4-dimethyl-5-[1-(methylamino)ethyl]-1,3-thiazol-2-amine
CID 62753085
N,4-dimethyl-5-[1-(methylamino)ethyl]-N-(1-methylsulfanylpropan-2-yl)-1,3-thiazol-2-amine
CID 112666365
N-cyclohexyl-N,4-dimethyl-5-(propylaminomethyl)-1,3-thiazol-2-amine
CID 62764625
N-(cyclopentylmethyl)-N,4-dimethyl-5-[1-(propylamino)ethyl]-1,3-thiazol-2-amine
CID 63654925
N-[1-(2-chlorophenyl)ethyl]-N,4-dimethyl-5-[1-(methylamino)ethyl]-1,3-thiazol-2-amine
CID 62985819

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-N,4-dimethyl-5-[1-(methylamino)ethyl]-1,3-thiazol-2-amine?
The IUPAC name of N-cycloheptyl-N,4-dimethyl-5-[1-(methylamino)ethyl]-1,3-thiazol-2-amine (CID 62750110) is N-cycloheptyl-N,4-dimethyl-5-[1-(methylamino)ethyl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-cycloheptyl-N,4-dimethyl-5-[1-(methylamino)ethyl]-1,3-thiazol-2-amine?
The canonical SMILES for N-cycloheptyl-N,4-dimethyl-5-[1-(methylamino)ethyl]-1,3-thiazol-2-amine is CNC(C)c1sc(N(C)C2CCCCCC2)nc1C.
What is the InChIKey of N-cycloheptyl-N,4-dimethyl-5-[1-(methylamino)ethyl]-1,3-thiazol-2-amine?
The InChIKey is MZAWMNQKJMCIPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3S/c1-11(16-3)14-12(2)17-15(19-14)18(4)13-9-7-5-6-8-10-13/h11,13,16H,5-10H2,1-4H3.
What are the key properties of N-cycloheptyl-N,4-dimethyl-5-[1-(methylamino)ethyl]-1,3-thiazol-2-amine?
N-cycloheptyl-N,4-dimethyl-5-[1-(methylamino)ethyl]-1,3-thiazol-2-amine has a molecular weight of 281.47 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-N,4-dimethyl-5-[1-(methylamino)ethyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 62750110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).