N-[1-[2-(2-chloro-6-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]propan-1-amine

C15H19ClN2OS — CID 104817796

IUPACN-[1-[2-(2-chloro-6-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]propan-1-amine
SMILESCCCNC(C)c1csc(-c2c(Cl)cccc2OC)n1
InChIInChI=1S/C15H19ClN2OS/c1-4-8-17-10(2)12-9-20-15(18-12)14-11(16)6-5-7-13(14)19-3/h5-7,9-10,17H,4,8H2,1-3H3
InChIKeyAPEASVKBTBGHIC-UHFFFAOYSA-N
MW310.85 g/mol
LogP4.53
Rot. Bonds6

About N-[1-[2-(2-chloro-6-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]propan-1-amine

N-[1-[2-(2-chloro-6-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]propan-1-amine (PubChem CID 104817796) has the molecular formula C15H19ClN2OS and a molecular weight of 310.85 g/mol. Its IUPAC name is N-[1-[2-(2-chloro-6-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-[2-(2-chloro-6-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]propan-1-amine
PubChem CID104817796
Molecular FormulaC15H19ClN2OS
Molecular Weight310.85 g/mol
Exact Mass310.09
IUPAC NameN-[1-[2-(2-chloro-6-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]propan-1-amine
SMILESCCCNC(C)c1csc(-c2c(Cl)cccc2OC)n1
InChIInChI=1S/C15H19ClN2OS/c1-4-8-17-10(2)12-9-20-15(18-12)14-11(16)6-5-7-13(14)19-3/h5-7,9-10,17H,4,8H2,1-3H3
InChIKeyAPEASVKBTBGHIC-UHFFFAOYSA-N
XLogP4.53
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.85
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(2-chloro-6-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]propan-1-amine?
The IUPAC name of N-[1-[2-(2-chloro-6-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]propan-1-amine (CID 104817796) is N-[1-[2-(2-chloro-6-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]propan-1-amine.
What is the SMILES notation for N-[1-[2-(2-chloro-6-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]propan-1-amine?
The canonical SMILES for N-[1-[2-(2-chloro-6-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]propan-1-amine is CCCNC(C)c1csc(-c2c(Cl)cccc2OC)n1.
What is the InChIKey of N-[1-[2-(2-chloro-6-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]propan-1-amine?
The InChIKey is APEASVKBTBGHIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2OS/c1-4-8-17-10(2)12-9-20-15(18-12)14-11(16)6-5-7-13(14)19-3/h5-7,9-10,17H,4,8H2,1-3H3.
What are the key properties of N-[1-[2-(2-chloro-6-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]propan-1-amine?
N-[1-[2-(2-chloro-6-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]propan-1-amine has a molecular weight of 310.85 g/mol, XLogP of 4.53, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(2-chloro-6-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]propan-1-amine is sourced from PubChem (CID 104817796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).