4-(2-chlorophenyl)-N-(3-phenylmethoxyphenyl)-1,3-thiazol-2-amine

C22H17ClN2OS — CID 58791675

IUPAC4-(2-chlorophenyl)-N-(3-phenylmethoxyphenyl)-1,3-thiazol-2-amine
SMILESClc1ccccc1-c1csc(Nc2cccc(OCc3ccccc3)c2)n1
InChIInChI=1S/C22H17ClN2OS/c23-20-12-5-4-11-19(20)21-15-27-22(25-21)24-17-9-6-10-18(13-17)26-14-16-7-2-1-3-8-16/h1-13,15H,14H2,(H,24,25)
InChIKeySHHANLNFZCTVJR-UHFFFAOYSA-N
MW392.91 g/mol
LogP6.79
Rot. Bonds6

About 4-(2-chlorophenyl)-N-(3-phenylmethoxyphenyl)-1,3-thiazol-2-amine

4-(2-chlorophenyl)-N-(3-phenylmethoxyphenyl)-1,3-thiazol-2-amine (PubChem CID 58791675) has the molecular formula C22H17ClN2OS and a molecular weight of 392.91 g/mol. Its IUPAC name is 4-(2-chlorophenyl)-N-(3-phenylmethoxyphenyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(2-chlorophenyl)-N-(3-phenylmethoxyphenyl)-1,3-thiazol-2-amine
PubChem CID58791675
Molecular FormulaC22H17ClN2OS
Molecular Weight392.91 g/mol
Exact Mass392.08
IUPAC Name4-(2-chlorophenyl)-N-(3-phenylmethoxyphenyl)-1,3-thiazol-2-amine
SMILESClc1ccccc1-c1csc(Nc2cccc(OCc3ccccc3)c2)n1
InChIInChI=1S/C22H17ClN2OS/c23-20-12-5-4-11-19(20)21-15-27-22(25-21)24-17-9-6-10-18(13-17)26-14-16-7-2-1-3-8-16/h1-13,15H,14H2,(H,24,25)
InChIKeySHHANLNFZCTVJR-UHFFFAOYSA-N
XLogP6.79
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.91
LogP ≤ 56.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3,4-dichlorophenyl)-N-(3-phenylmethoxyphenyl)-1,3-thiazol-2-amine
CID 58791226
4-(2-chlorophenyl)-N-(3-phenoxyphenyl)-1,3-thiazol-2-amine
CID 58791971
1-[3-[[4-(2-chlorophenyl)-1,3-thiazol-2-yl]amino]phenyl]ethanone
CID 53338292
4-(2-chlorophenyl)-N-[4-(2H-tetrazol-5-ylmethoxy)phenyl]-1,3-thiazol-2-amine
CID 25024578
[3-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]phenyl] (E)-3-(3-phenylmethoxyphenyl)prop-2-enoate
CID 110492773
[3-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]phenyl] 4-phenylmethoxybenzoate
CID 110492775
N-(3-benzylphenyl)-4-(3,4-dichlorophenyl)-1,3-thiazol-2-amine
CID 58791991
N-(3,4-dichlorophenyl)-4-(2-methoxyphenyl)-1,3-thiazol-2-amine
CID 5168594
4-[4-[(4-bromophenyl)methoxy]phenyl]-N-phenyl-1,3-thiazol-2-amine
CID 3100458
(E)-3-[3-[[4-(2-chlorophenyl)-1,3-thiazol-2-yl]methoxy]phenyl]prop-2-enoic acid
CID 25018090
2,6-dichloro-N-(3-phenylmethoxyphenyl)benzenesulfonamide
CID 122187088
1-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-4-N,4-N-dimethylbenzene-1,4-diamine
CID 53338296

Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorophenyl)-N-(3-phenylmethoxyphenyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-(2-chlorophenyl)-N-(3-phenylmethoxyphenyl)-1,3-thiazol-2-amine (CID 58791675) is 4-(2-chlorophenyl)-N-(3-phenylmethoxyphenyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(2-chlorophenyl)-N-(3-phenylmethoxyphenyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-(2-chlorophenyl)-N-(3-phenylmethoxyphenyl)-1,3-thiazol-2-amine is Clc1ccccc1-c1csc(Nc2cccc(OCc3ccccc3)c2)n1.
What is the InChIKey of 4-(2-chlorophenyl)-N-(3-phenylmethoxyphenyl)-1,3-thiazol-2-amine?
The InChIKey is SHHANLNFZCTVJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClN2OS/c23-20-12-5-4-11-19(20)21-15-27-22(25-21)24-17-9-6-10-18(13-17)26-14-16-7-2-1-3-8-16/h1-13,15H,14H2,(H,24,25).
What are the key properties of 4-(2-chlorophenyl)-N-(3-phenylmethoxyphenyl)-1,3-thiazol-2-amine?
4-(2-chlorophenyl)-N-(3-phenylmethoxyphenyl)-1,3-thiazol-2-amine has a molecular weight of 392.91 g/mol, XLogP of 6.79, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chlorophenyl)-N-(3-phenylmethoxyphenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 58791675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).