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

C16H22ClN3S — CID 62985819

IUPACN-[1-(2-chlorophenyl)ethyl]-N,4-dimethyl-5-[1-(methylamino)ethyl]-1,3-thiazol-2-amine
SMILESCNC(C)c1sc(N(C)C(C)c2ccccc2Cl)nc1C
InChIInChI=1S/C16H22ClN3S/c1-10(18-4)15-11(2)19-16(21-15)20(5)12(3)13-8-6-7-9-14(13)17/h6-10,12,18H,1-5H3
InChIKeyPRIJPZKHGKWQEC-UHFFFAOYSA-N
MW323.89 g/mol
LogP4.58
Rot. Bonds5

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

N-[1-(2-chlorophenyl)ethyl]-N,4-dimethyl-5-[1-(methylamino)ethyl]-1,3-thiazol-2-amine (PubChem CID 62985819) has the molecular formula C16H22ClN3S and a molecular weight of 323.89 g/mol. Its IUPAC name is N-[1-(2-chlorophenyl)ethyl]-N,4-dimethyl-5-[1-(methylamino)ethyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[1-(2-chlorophenyl)ethyl]-N,4-dimethyl-5-[1-(methylamino)ethyl]-1,3-thiazol-2-amine
PubChem CID62985819
Molecular FormulaC16H22ClN3S
Molecular Weight323.89 g/mol
Exact Mass323.12
IUPAC NameN-[1-(2-chlorophenyl)ethyl]-N,4-dimethyl-5-[1-(methylamino)ethyl]-1,3-thiazol-2-amine
SMILESCNC(C)c1sc(N(C)C(C)c2ccccc2Cl)nc1C
InChIInChI=1S/C16H22ClN3S/c1-10(18-4)15-11(2)19-16(21-15)20(5)12(3)13-8-6-7-9-14(13)17/h6-10,12,18H,1-5H3
InChIKeyPRIJPZKHGKWQEC-UHFFFAOYSA-N
XLogP4.58
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.89
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-chlorophenyl)ethyl]-N,4-dimethyl-5-[1-(methylamino)ethyl]-1,3-thiazol-2-amine?
The IUPAC name of N-[1-(2-chlorophenyl)ethyl]-N,4-dimethyl-5-[1-(methylamino)ethyl]-1,3-thiazol-2-amine (CID 62985819) is N-[1-(2-chlorophenyl)ethyl]-N,4-dimethyl-5-[1-(methylamino)ethyl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-[1-(2-chlorophenyl)ethyl]-N,4-dimethyl-5-[1-(methylamino)ethyl]-1,3-thiazol-2-amine?
The canonical SMILES for N-[1-(2-chlorophenyl)ethyl]-N,4-dimethyl-5-[1-(methylamino)ethyl]-1,3-thiazol-2-amine is CNC(C)c1sc(N(C)C(C)c2ccccc2Cl)nc1C.
What is the InChIKey of N-[1-(2-chlorophenyl)ethyl]-N,4-dimethyl-5-[1-(methylamino)ethyl]-1,3-thiazol-2-amine?
The InChIKey is PRIJPZKHGKWQEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN3S/c1-10(18-4)15-11(2)19-16(21-15)20(5)12(3)13-8-6-7-9-14(13)17/h6-10,12,18H,1-5H3.
What are the key properties of N-[1-(2-chlorophenyl)ethyl]-N,4-dimethyl-5-[1-(methylamino)ethyl]-1,3-thiazol-2-amine?
N-[1-(2-chlorophenyl)ethyl]-N,4-dimethyl-5-[1-(methylamino)ethyl]-1,3-thiazol-2-amine has a molecular weight of 323.89 g/mol, XLogP of 4.58, 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-[1-(methylamino)ethyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 62985819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).