[4-[4-(3-chloro-4-ethoxyphenyl)-1,3-thiazol-2-yl]phenyl]methanamine

C18H17ClN2OS — CID 20983705

IUPAC[4-[4-(3-chloro-4-ethoxyphenyl)-1,3-thiazol-2-yl]phenyl]methanamine
SMILESCCOc1ccc(-c2csc(-c3ccc(CN)cc3)n2)cc1Cl
InChIInChI=1S/C18H17ClN2OS/c1-2-22-17-8-7-14(9-15(17)19)16-11-23-18(21-16)13-5-3-12(10-20)4-6-13/h3-9,11H,2,10,20H2,1H3
InChIKeyQAONGXPNXBSGIT-UHFFFAOYSA-N
MW344.87 g/mol
LogP4.99
Rot. Bonds5

About [4-[4-(3-chloro-4-ethoxyphenyl)-1,3-thiazol-2-yl]phenyl]methanamine

[4-[4-(3-chloro-4-ethoxyphenyl)-1,3-thiazol-2-yl]phenyl]methanamine (PubChem CID 20983705) has the molecular formula C18H17ClN2OS and a molecular weight of 344.87 g/mol. Its IUPAC name is [4-[4-(3-chloro-4-ethoxyphenyl)-1,3-thiazol-2-yl]phenyl]methanamine.

Molecular Properties

Compound Name[4-[4-(3-chloro-4-ethoxyphenyl)-1,3-thiazol-2-yl]phenyl]methanamine
PubChem CID20983705
Molecular FormulaC18H17ClN2OS
Molecular Weight344.87 g/mol
Exact Mass344.08
IUPAC Name[4-[4-(3-chloro-4-ethoxyphenyl)-1,3-thiazol-2-yl]phenyl]methanamine
SMILESCCOc1ccc(-c2csc(-c3ccc(CN)cc3)n2)cc1Cl
InChIInChI=1S/C18H17ClN2OS/c1-2-22-17-8-7-14(9-15(17)19)16-11-23-18(21-16)13-5-3-12(10-20)4-6-13/h3-9,11H,2,10,20H2,1H3
InChIKeyQAONGXPNXBSGIT-UHFFFAOYSA-N
XLogP4.99
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.87
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [4-[4-(3-chloro-4-ethoxyphenyl)-1,3-thiazol-2-yl]phenyl]methanamine with MolForge

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Related Compounds

2-(bromomethyl)-4-(3-chloro-4-ethoxyphenyl)-1,3-thiazole
CID 116970308
2-(3-chloro-4-ethoxyphenyl)-1,3-thiazole-4-carbonitrile
CID 116889928
2-ethoxy-5-[2-(3-methylphenyl)-1,3-thiazol-4-yl]aniline
CID 93205686
[4-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]phenyl]methanamine
CID 63152339
4-[(2-chloro-4-phenylphenoxy)methyl]-2-phenyl-1,3-thiazole
CID 7550705
[4-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]phenyl]methanamine
CID 39197619
4-chloro-6-(3-chloro-4-ethoxyphenyl)pyrimidine
CID 24902174
[3-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methanamine
CID 20983736
3-chloro-5-(3-chloro-4-ethoxyphenyl)-1,2,4-triazine
CID 96667491
2-chloro-4-(3-chloro-4-ethoxyphenyl)pyridine
CID 164891716
[3-[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]phenyl]methanamine
CID 63152203
2-[6-[2-(3,4-diethoxyphenyl)-1,3-thiazol-4-yl]-2-pyridinyl]acetonitrile
CID 19041026

Frequently Asked Questions

What is the IUPAC name of [4-[4-(3-chloro-4-ethoxyphenyl)-1,3-thiazol-2-yl]phenyl]methanamine?
The IUPAC name of [4-[4-(3-chloro-4-ethoxyphenyl)-1,3-thiazol-2-yl]phenyl]methanamine (CID 20983705) is [4-[4-(3-chloro-4-ethoxyphenyl)-1,3-thiazol-2-yl]phenyl]methanamine.
What is the SMILES notation for [4-[4-(3-chloro-4-ethoxyphenyl)-1,3-thiazol-2-yl]phenyl]methanamine?
The canonical SMILES for [4-[4-(3-chloro-4-ethoxyphenyl)-1,3-thiazol-2-yl]phenyl]methanamine is CCOc1ccc(-c2csc(-c3ccc(CN)cc3)n2)cc1Cl.
What is the InChIKey of [4-[4-(3-chloro-4-ethoxyphenyl)-1,3-thiazol-2-yl]phenyl]methanamine?
The InChIKey is QAONGXPNXBSGIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2OS/c1-2-22-17-8-7-14(9-15(17)19)16-11-23-18(21-16)13-5-3-12(10-20)4-6-13/h3-9,11H,2,10,20H2,1H3.
What are the key properties of [4-[4-(3-chloro-4-ethoxyphenyl)-1,3-thiazol-2-yl]phenyl]methanamine?
[4-[4-(3-chloro-4-ethoxyphenyl)-1,3-thiazol-2-yl]phenyl]methanamine has a molecular weight of 344.87 g/mol, XLogP of 4.99, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(3-chloro-4-ethoxyphenyl)-1,3-thiazol-2-yl]phenyl]methanamine is sourced from PubChem (CID 20983705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).