[4-(3-chlorophenyl)-5-[(3,4-dimethoxyphenyl)methyl]-1,3-thiazol-2-yl]methanamine

C19H19ClN2O2S — CID 86680598

IUPAC[4-(3-chlorophenyl)-5-[(3,4-dimethoxyphenyl)methyl]-1,3-thiazol-2-yl]methanamine
SMILESCOc1ccc(Cc2sc(CN)nc2-c2cccc(Cl)c2)cc1OC
InChIInChI=1S/C19H19ClN2O2S/c1-23-15-7-6-12(8-16(15)24-2)9-17-19(22-18(11-21)25-17)13-4-3-5-14(20)10-13/h3-8,10H,9,11,21H2,1-2H3
InChIKeyYTVQILUSOYSINC-UHFFFAOYSA-N
MW374.89 g/mol
LogP4.53
Rot. Bonds6

About [4-(3-chlorophenyl)-5-[(3,4-dimethoxyphenyl)methyl]-1,3-thiazol-2-yl]methanamine

[4-(3-chlorophenyl)-5-[(3,4-dimethoxyphenyl)methyl]-1,3-thiazol-2-yl]methanamine (PubChem CID 86680598) has the molecular formula C19H19ClN2O2S and a molecular weight of 374.89 g/mol. Its IUPAC name is [4-(3-chlorophenyl)-5-[(3,4-dimethoxyphenyl)methyl]-1,3-thiazol-2-yl]methanamine.

Molecular Properties

Compound Name[4-(3-chlorophenyl)-5-[(3,4-dimethoxyphenyl)methyl]-1,3-thiazol-2-yl]methanamine
PubChem CID86680598
Molecular FormulaC19H19ClN2O2S
Molecular Weight374.89 g/mol
Exact Mass374.09
IUPAC Name[4-(3-chlorophenyl)-5-[(3,4-dimethoxyphenyl)methyl]-1,3-thiazol-2-yl]methanamine
SMILESCOc1ccc(Cc2sc(CN)nc2-c2cccc(Cl)c2)cc1OC
InChIInChI=1S/C19H19ClN2O2S/c1-23-15-7-6-12(8-16(15)24-2)9-17-19(22-18(11-21)25-17)13-4-3-5-14(20)10-13/h3-8,10H,9,11,21H2,1-2H3
InChIKeyYTVQILUSOYSINC-UHFFFAOYSA-N
XLogP4.53
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.89
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-[[3-(3-chlorophenyl)-4-methoxyphenyl]methyl]phenyl]methanamine;hydrochloride
CID 68789943
[5-benzyl-4-(3-methylphenyl)-1,3-thiazol-2-yl]methanamine
CID 82106460
4-[[3-(3-chlorophenyl)-4-methoxyphenyl]methyl]aniline
CID 58019873
[4-(3-fluorophenyl)-5-(pyridin-4-ylmethyl)-1,3-thiazol-2-yl]methanamine
CID 82106482
5-[(5-ethyl-4-phenyl-1,3-thiazol-2-yl)methyl]-2-methoxyaniline
CID 82152282
6-chloro-2-(3-chlorophenyl)-3-methoxypyridine
CID 174463483
4-[[3-(3-chlorophenyl)-4-methoxyphenyl]methyl]aniline;hydrochloride
CID 68789956
[2-[(4-chlorophenyl)methyl]-4-phenyl-1,3-thiazol-5-yl]methanamine
CID 81177501
2-[(3,4-dimethoxyphenyl)methyl]-4-(4-methoxyphenyl)-5-methyl-1,3-thiazole
CID 31264291
[4-(3-chlorophenyl)thiadiazol-5-yl]methanamine
CID 65208001
4-(chloromethyl)-2-[(3,4-dimethoxyphenyl)methyl]-1,3-thiazole
CID 60863894
[2-[(3-chlorophenyl)methyl]-4-ethyl-1,3-thiazol-5-yl]methanamine
CID 82428640

Frequently Asked Questions

What is the IUPAC name of [4-(3-chlorophenyl)-5-[(3,4-dimethoxyphenyl)methyl]-1,3-thiazol-2-yl]methanamine?
The IUPAC name of [4-(3-chlorophenyl)-5-[(3,4-dimethoxyphenyl)methyl]-1,3-thiazol-2-yl]methanamine (CID 86680598) is [4-(3-chlorophenyl)-5-[(3,4-dimethoxyphenyl)methyl]-1,3-thiazol-2-yl]methanamine.
What is the SMILES notation for [4-(3-chlorophenyl)-5-[(3,4-dimethoxyphenyl)methyl]-1,3-thiazol-2-yl]methanamine?
The canonical SMILES for [4-(3-chlorophenyl)-5-[(3,4-dimethoxyphenyl)methyl]-1,3-thiazol-2-yl]methanamine is COc1ccc(Cc2sc(CN)nc2-c2cccc(Cl)c2)cc1OC.
What is the InChIKey of [4-(3-chlorophenyl)-5-[(3,4-dimethoxyphenyl)methyl]-1,3-thiazol-2-yl]methanamine?
The InChIKey is YTVQILUSOYSINC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O2S/c1-23-15-7-6-12(8-16(15)24-2)9-17-19(22-18(11-21)25-17)13-4-3-5-14(20)10-13/h3-8,10H,9,11,21H2,1-2H3.
What are the key properties of [4-(3-chlorophenyl)-5-[(3,4-dimethoxyphenyl)methyl]-1,3-thiazol-2-yl]methanamine?
[4-(3-chlorophenyl)-5-[(3,4-dimethoxyphenyl)methyl]-1,3-thiazol-2-yl]methanamine has a molecular weight of 374.89 g/mol, XLogP of 4.53, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-chlorophenyl)-5-[(3,4-dimethoxyphenyl)methyl]-1,3-thiazol-2-yl]methanamine is sourced from PubChem (CID 86680598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).