5-benzyl-4-(2-chlorophenyl)-N-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-amine

C24H21ClN2OS — CID 118713013

IUPAC5-benzyl-4-(2-chlorophenyl)-N-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-amine
SMILESCOc1ccc(CNc2nc(-c3ccccc3Cl)c(Cc3ccccc3)s2)cc1
InChIInChI=1S/C24H21ClN2OS/c1-28-19-13-11-18(12-14-19)16-26-24-27-23(20-9-5-6-10-21(20)25)22(29-24)15-17-7-3-2-4-8-17/h2-14H,15-16H2,1H3,(H,26,27)
InChIKeyOUTHNGFUSLUWIG-UHFFFAOYSA-N
MW420.97 g/mol
LogP6.68
Rot. Bonds7

About 5-benzyl-4-(2-chlorophenyl)-N-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-amine

5-benzyl-4-(2-chlorophenyl)-N-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-amine (PubChem CID 118713013) has the molecular formula C24H21ClN2OS and a molecular weight of 420.97 g/mol. Its IUPAC name is 5-benzyl-4-(2-chlorophenyl)-N-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-benzyl-4-(2-chlorophenyl)-N-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-amine
PubChem CID118713013
Molecular FormulaC24H21ClN2OS
Molecular Weight420.97 g/mol
Exact Mass420.11
IUPAC Name5-benzyl-4-(2-chlorophenyl)-N-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-amine
SMILESCOc1ccc(CNc2nc(-c3ccccc3Cl)c(Cc3ccccc3)s2)cc1
InChIInChI=1S/C24H21ClN2OS/c1-28-19-13-11-18(12-14-19)16-26-24-27-23(20-9-5-6-10-21(20)25)22(29-24)15-17-7-3-2-4-8-17/h2-14H,15-16H2,1H3,(H,26,27)
InChIKeyOUTHNGFUSLUWIG-UHFFFAOYSA-N
XLogP6.68
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.97
LogP ≤ 56.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-(difluoromethoxy)phenyl]-N-ethyl-5-methyl-1,3-thiazol-2-amine
CID 2443333
4-(4-chlorophenyl)-N-(4-methoxyphenyl)thiazol-2-amine
CID 768022
1-[4,5-Bis(4-methoxyphenyl)-1,3-thiazol-2-yl]-4-methylpiperazine
CID 4788158
1-[4,5-Bis(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-methylguanidine
CID 9999107
(5-{[(4-Methoxy-benzyl)-propyl-amino]-methyl}-4-trifluoromethyl-thiazol-2-yl)-(2,4,6-trichloro-phenyl)-amine
CID 10165732
1-[4,5-Bis(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-propan-2-ylguanidine
CID 10318585
1-[4,5-Bis(4-methoxyphenyl)-1,3-thiazol-2-yl]-2,3-dimethylguanidine
CID 10429998
4-[2-Benzylamino-4-(3-fluoro-4-methoxy-phenyl)-thiazol-5-yl]-benzenesulfonamide
CID 44271350
5-benzyl-N-[(4-methoxyphenyl)methyl]-4-phenyl-thiazol-2-amine
CID 72706125
5-[(2-methoxyphenyl)methyl]-N-[(4-methoxyphenyl)methyl]-4-phenyl-thiazol-2-amine
CID 72706187
N-(2,3-dihydrobenzofuran-5-ylmethyl)-5-[(2-methoxyphenyl)methyl]-4-phenyl-thiazol-2-amine
CID 72706247
5-benzyl-4-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-N-methyl-thiazol-2-amine
CID 72706311

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-4-(2-chlorophenyl)-N-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-amine?
The IUPAC name of 5-benzyl-4-(2-chlorophenyl)-N-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-amine (CID 118713013) is 5-benzyl-4-(2-chlorophenyl)-N-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 5-benzyl-4-(2-chlorophenyl)-N-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 5-benzyl-4-(2-chlorophenyl)-N-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-amine is COc1ccc(CNc2nc(-c3ccccc3Cl)c(Cc3ccccc3)s2)cc1.
What is the InChIKey of 5-benzyl-4-(2-chlorophenyl)-N-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-amine?
The InChIKey is OUTHNGFUSLUWIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClN2OS/c1-28-19-13-11-18(12-14-19)16-26-24-27-23(20-9-5-6-10-21(20)25)22(29-24)15-17-7-3-2-4-8-17/h2-14H,15-16H2,1H3,(H,26,27).
What are the key properties of 5-benzyl-4-(2-chlorophenyl)-N-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-amine?
5-benzyl-4-(2-chlorophenyl)-N-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-amine has a molecular weight of 420.97 g/mol, XLogP of 6.68, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-4-(2-chlorophenyl)-N-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 118713013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).