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

C15H20ClN3S — CID 62984953

IUPACN-[1-(2-chlorophenyl)ethyl]-N,4-dimethyl-5-(methylaminomethyl)-1,3-thiazol-2-amine
SMILESCNCc1sc(N(C)C(C)c2ccccc2Cl)nc1C
InChIInChI=1S/C15H20ClN3S/c1-10-14(9-17-3)20-15(18-10)19(4)11(2)12-7-5-6-8-13(12)16/h5-8,11,17H,9H2,1-4H3
InChIKeyUVLCKHIPRGTBFC-UHFFFAOYSA-N
MW309.87 g/mol
LogP4.02
Rot. Bonds5

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

N-[1-(2-chlorophenyl)ethyl]-N,4-dimethyl-5-(methylaminomethyl)-1,3-thiazol-2-amine (PubChem CID 62984953) has the molecular formula C15H20ClN3S and a molecular weight of 309.87 g/mol. Its IUPAC name is N-[1-(2-chlorophenyl)ethyl]-N,4-dimethyl-5-(methylaminomethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[1-(2-chlorophenyl)ethyl]-N,4-dimethyl-5-(methylaminomethyl)-1,3-thiazol-2-amine
PubChem CID62984953
Molecular FormulaC15H20ClN3S
Molecular Weight309.87 g/mol
Exact Mass309.11
IUPAC NameN-[1-(2-chlorophenyl)ethyl]-N,4-dimethyl-5-(methylaminomethyl)-1,3-thiazol-2-amine
SMILESCNCc1sc(N(C)C(C)c2ccccc2Cl)nc1C
InChIInChI=1S/C15H20ClN3S/c1-10-14(9-17-3)20-15(18-10)19(4)11(2)12-7-5-6-8-13(12)16/h5-8,11,17H,9H2,1-4H3
InChIKeyUVLCKHIPRGTBFC-UHFFFAOYSA-N
XLogP4.02
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.87
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(3-chlorophenyl)ethyl]-N,4-dimethyl-5-(methylaminomethyl)-1,3-thiazol-2-amine
CID 62985300
N-[1-(2-chlorophenyl)ethyl]-N,4-dimethyl-5-[1-(methylamino)ethyl]-1,3-thiazol-2-amine
CID 62985819
1-[2-(2,6-dichlorophenyl)-4-methyl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 82193731
N-[(2-fluorophenyl)methyl]-N,4-dimethyl-5-(methylaminomethyl)-1,3-thiazol-2-amine
CID 55117804
N-[1-(2-chlorophenyl)ethyl]-N-methyl-3-(methylaminomethyl)pyridin-2-amine
CID 62985079
N-[1-(2-chlorophenyl)ethyl]-N,3-dimethyl-5-(methylaminomethyl)pyridin-2-amine
CID 80638564
3-chloro-N-[1-(2-chlorophenyl)ethyl]-N-methyl-5-(methylaminomethyl)pyridin-2-amine
CID 62985251
N,4-dimethyl-5-(methylaminomethyl)-N-(pyridin-4-ylmethyl)-1,3-thiazol-2-amine
CID 62766787
N,4-dimethyl-5-(methylaminomethyl)-N-(2-propan-2-yloxyethyl)-1,3-thiazol-2-amine
CID 81067225
2-[1-(2-chlorophenyl)ethyl-methylamino]-5,6-dihydro-4H-1,3-benzothiazol-7-one
CID 62985465
N,4-dimethyl-5-(methylaminomethyl)-N-(2-thiophen-2-ylethyl)-1,3-thiazol-2-amine
CID 79494589
4-methyl-5-(methylaminomethyl)-N,N-dipropyl-1,3-thiazol-2-amine
CID 62765690

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-chlorophenyl)ethyl]-N,4-dimethyl-5-(methylaminomethyl)-1,3-thiazol-2-amine?
The IUPAC name of N-[1-(2-chlorophenyl)ethyl]-N,4-dimethyl-5-(methylaminomethyl)-1,3-thiazol-2-amine (CID 62984953) is N-[1-(2-chlorophenyl)ethyl]-N,4-dimethyl-5-(methylaminomethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-[1-(2-chlorophenyl)ethyl]-N,4-dimethyl-5-(methylaminomethyl)-1,3-thiazol-2-amine?
The canonical SMILES for N-[1-(2-chlorophenyl)ethyl]-N,4-dimethyl-5-(methylaminomethyl)-1,3-thiazol-2-amine is CNCc1sc(N(C)C(C)c2ccccc2Cl)nc1C.
What is the InChIKey of N-[1-(2-chlorophenyl)ethyl]-N,4-dimethyl-5-(methylaminomethyl)-1,3-thiazol-2-amine?
The InChIKey is UVLCKHIPRGTBFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3S/c1-10-14(9-17-3)20-15(18-10)19(4)11(2)12-7-5-6-8-13(12)16/h5-8,11,17H,9H2,1-4H3.
What are the key properties of N-[1-(2-chlorophenyl)ethyl]-N,4-dimethyl-5-(methylaminomethyl)-1,3-thiazol-2-amine?
N-[1-(2-chlorophenyl)ethyl]-N,4-dimethyl-5-(methylaminomethyl)-1,3-thiazol-2-amine has a molecular weight of 309.87 g/mol, XLogP of 4.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-chlorophenyl)ethyl]-N,4-dimethyl-5-(methylaminomethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 62984953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).