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

C16H21ClN2OS — CID 65022260

IUPACN-[1-[2-(3-chloro-4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]propan-1-amine
SMILESCCCNC(C)c1sc(-c2ccc(OC)c(Cl)c2)nc1C
InChIInChI=1S/C16H21ClN2OS/c1-5-8-18-10(2)15-11(3)19-16(21-15)12-6-7-14(20-4)13(17)9-12/h6-7,9-10,18H,5,8H2,1-4H3
InChIKeyNUPIZVHZKGJWTE-UHFFFAOYSA-N
MW324.88 g/mol
LogP4.84
Rot. Bonds6

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

N-[1-[2-(3-chloro-4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]propan-1-amine (PubChem CID 65022260) has the molecular formula C16H21ClN2OS and a molecular weight of 324.88 g/mol. Its IUPAC name is N-[1-[2-(3-chloro-4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-[2-(3-chloro-4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]propan-1-amine
PubChem CID65022260
Molecular FormulaC16H21ClN2OS
Molecular Weight324.88 g/mol
Exact Mass324.11
IUPAC NameN-[1-[2-(3-chloro-4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]propan-1-amine
SMILESCCCNC(C)c1sc(-c2ccc(OC)c(Cl)c2)nc1C
InChIInChI=1S/C16H21ClN2OS/c1-5-8-18-10(2)15-11(3)19-16(21-15)12-6-7-14(20-4)13(17)9-12/h6-7,9-10,18H,5,8H2,1-4H3
InChIKeyNUPIZVHZKGJWTE-UHFFFAOYSA-N
XLogP4.84
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.88
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

N-[1-[2-(4-fluoro-3-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]propan-1-amine
CID 107922728
1-[2-(3-chloro-4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethanamine
CID 65022179
N-[1-[2-(3-chloro-4-methoxyphenyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine
CID 65022602
N-[1-[2-(3-fluoro-4-methylphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]propan-1-amine
CID 61286985
N-[1-[2-(4-bromophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]propan-1-amine
CID 61287183
N-[1-[2-(2,6-dichlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]propan-1-amine
CID 61280533
1-[2-(3-chloro-4,5-dimethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine
CID 61289017
N-[1-[2-(2,3-dihydro-1-benzofuran-5-yl)-4-methyl-1,3-thiazol-5-yl]ethyl]propan-1-amine
CID 61280929
N-ethyl-1-[2-(2-methoxy-4-methylphenyl)-4-methyl-1,3-thiazol-5-yl]ethanamine
CID 106792889
N-[1-[2-[(2,4-dichlorophenyl)methyl]-4-methyl-1,3-thiazol-5-yl]ethyl]propan-1-amine
CID 63447093
1-[2-(3-chloro-4-methoxyphenyl)-1,3-thiazol-5-yl]-N-ethylethanamine
CID 65022560
1-[2-(3,4-dichlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethanol
CID 21051230

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(3-chloro-4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]propan-1-amine?
The IUPAC name of N-[1-[2-(3-chloro-4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]propan-1-amine (CID 65022260) is N-[1-[2-(3-chloro-4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]propan-1-amine.
What is the SMILES notation for N-[1-[2-(3-chloro-4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]propan-1-amine?
The canonical SMILES for N-[1-[2-(3-chloro-4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]propan-1-amine is CCCNC(C)c1sc(-c2ccc(OC)c(Cl)c2)nc1C.
What is the InChIKey of N-[1-[2-(3-chloro-4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]propan-1-amine?
The InChIKey is NUPIZVHZKGJWTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2OS/c1-5-8-18-10(2)15-11(3)19-16(21-15)12-6-7-14(20-4)13(17)9-12/h6-7,9-10,18H,5,8H2,1-4H3.
What are the key properties of N-[1-[2-(3-chloro-4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]propan-1-amine?
N-[1-[2-(3-chloro-4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]propan-1-amine has a molecular weight of 324.88 g/mol, XLogP of 4.84, 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)-4-methyl-1,3-thiazol-5-yl]ethyl]propan-1-amine is sourced from PubChem (CID 65022260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).