N-[1-[2-(2,6-dichlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]propan-1-amine

C15H18Cl2N2S — CID 61280533

IUPACN-[1-[2-(2,6-dichlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]propan-1-amine
SMILESCCCNC(C)c1sc(-c2c(Cl)cccc2Cl)nc1C
InChIInChI=1S/C15H18Cl2N2S/c1-4-8-18-9(2)14-10(3)19-15(20-14)13-11(16)6-5-7-12(13)17/h5-7,9,18H,4,8H2,1-3H3
InChIKeyFXZJSZILDVRQPP-UHFFFAOYSA-N
MW329.30 g/mol
LogP5.49
Rot. Bonds5

About N-[1-[2-(2,6-dichlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]propan-1-amine

N-[1-[2-(2,6-dichlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]propan-1-amine (PubChem CID 61280533) has the molecular formula C15H18Cl2N2S and a molecular weight of 329.30 g/mol. Its IUPAC name is N-[1-[2-(2,6-dichlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-[2-(2,6-dichlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]propan-1-amine
PubChem CID61280533
Molecular FormulaC15H18Cl2N2S
Molecular Weight329.30 g/mol
Exact Mass328.06
IUPAC NameN-[1-[2-(2,6-dichlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]propan-1-amine
SMILESCCCNC(C)c1sc(-c2c(Cl)cccc2Cl)nc1C
InChIInChI=1S/C15H18Cl2N2S/c1-4-8-18-9(2)14-10(3)19-15(20-14)13-11(16)6-5-7-12(13)17/h5-7,9,18H,4,8H2,1-3H3
InChIKeyFXZJSZILDVRQPP-UHFFFAOYSA-N
XLogP5.49
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.30
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[2-(3-chloro-4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]propan-1-amine
CID 65022260
N-[1-[2-(4-bromophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]propan-1-amine
CID 61287183
N-[1-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazol-5-yl]ethyl]propan-1-amine
CID 61283071
N-[1-[2-(3-fluoro-4-methylphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]propan-1-amine
CID 61286985
N-[1-[2-[(2,4-dichlorophenyl)methyl]-4-methyl-1,3-thiazol-5-yl]ethyl]propan-1-amine
CID 63447093
N-[1-[2-(1-benzothiophen-3-yl)-4-methyl-1,3-thiazol-5-yl]ethyl]propan-1-amine
CID 62699797
N-ethyl-1-[4-methyl-2-(6-methyl-2-pyridinyl)-1,3-thiazol-5-yl]ethanamine
CID 55222339
4-methyl-5-[1-(propylamino)ethyl]-1,3-thiazol-2-amine
CID 61295837
1-[2-(2,6-dichlorophenyl)-4-methyl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 82193731
N-[1-[2-(4-fluoro-3-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]propan-1-amine
CID 107922728
N-[1-[2-(2,3-dihydro-1-benzofuran-5-yl)-4-methyl-1,3-thiazol-5-yl]ethyl]propan-1-amine
CID 61280929
N-[1-[4-methyl-2-[(3-methylphenyl)sulfanylmethyl]-1,3-thiazol-5-yl]ethyl]propan-1-amine
CID 66088179

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(2,6-dichlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]propan-1-amine?
The IUPAC name of N-[1-[2-(2,6-dichlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]propan-1-amine (CID 61280533) is N-[1-[2-(2,6-dichlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]propan-1-amine.
What is the SMILES notation for N-[1-[2-(2,6-dichlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]propan-1-amine?
The canonical SMILES for N-[1-[2-(2,6-dichlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]propan-1-amine is CCCNC(C)c1sc(-c2c(Cl)cccc2Cl)nc1C.
What is the InChIKey of N-[1-[2-(2,6-dichlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]propan-1-amine?
The InChIKey is FXZJSZILDVRQPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18Cl2N2S/c1-4-8-18-9(2)14-10(3)19-15(20-14)13-11(16)6-5-7-12(13)17/h5-7,9,18H,4,8H2,1-3H3.
What are the key properties of N-[1-[2-(2,6-dichlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]propan-1-amine?
N-[1-[2-(2,6-dichlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]propan-1-amine has a molecular weight of 329.30 g/mol, XLogP of 5.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(2,6-dichlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]propan-1-amine is sourced from PubChem (CID 61280533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).