N-[1-[2-(3-chloro-4-methoxyphenyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine

C15H19ClN2OS — CID 65022602

IUPACN-[1-[2-(3-chloro-4-methoxyphenyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine
SMILESCCCNC(C)c1cnc(-c2ccc(OC)c(Cl)c2)s1
InChIInChI=1S/C15H19ClN2OS/c1-4-7-17-10(2)14-9-18-15(20-14)11-5-6-13(19-3)12(16)8-11/h5-6,8-10,17H,4,7H2,1-3H3
InChIKeyNIOFXMOFKJAKGR-UHFFFAOYSA-N
MW310.85 g/mol
LogP4.53
Rot. Bonds6

About N-[1-[2-(3-chloro-4-methoxyphenyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine

N-[1-[2-(3-chloro-4-methoxyphenyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine (PubChem CID 65022602) has the molecular formula C15H19ClN2OS and a molecular weight of 310.85 g/mol. Its IUPAC name is N-[1-[2-(3-chloro-4-methoxyphenyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-[2-(3-chloro-4-methoxyphenyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine
PubChem CID65022602
Molecular FormulaC15H19ClN2OS
Molecular Weight310.85 g/mol
Exact Mass310.09
IUPAC NameN-[1-[2-(3-chloro-4-methoxyphenyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine
SMILESCCCNC(C)c1cnc(-c2ccc(OC)c(Cl)c2)s1
InChIInChI=1S/C15H19ClN2OS/c1-4-7-17-10(2)14-9-18-15(20-14)11-5-6-13(19-3)12(16)8-11/h5-6,8-10,17H,4,7H2,1-3H3
InChIKeyNIOFXMOFKJAKGR-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

Analyze N-[1-[2-(3-chloro-4-methoxyphenyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(3-chloro-4-methoxyphenyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine?
The IUPAC name of N-[1-[2-(3-chloro-4-methoxyphenyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine (CID 65022602) is N-[1-[2-(3-chloro-4-methoxyphenyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine.
What is the SMILES notation for N-[1-[2-(3-chloro-4-methoxyphenyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine?
The canonical SMILES for N-[1-[2-(3-chloro-4-methoxyphenyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine is CCCNC(C)c1cnc(-c2ccc(OC)c(Cl)c2)s1.
What is the InChIKey of N-[1-[2-(3-chloro-4-methoxyphenyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine?
The InChIKey is NIOFXMOFKJAKGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2OS/c1-4-7-17-10(2)14-9-18-15(20-14)11-5-6-13(19-3)12(16)8-11/h5-6,8-10,17H,4,7H2,1-3H3.
What are the key properties of N-[1-[2-(3-chloro-4-methoxyphenyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine?
N-[1-[2-(3-chloro-4-methoxyphenyl)-1,3-thiazol-5-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-(3-chloro-4-methoxyphenyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine is sourced from PubChem (CID 65022602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).