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

C17H15ClN2OS — CID 3932194

IUPAC[4-(2-chloro-4-phenylmethoxyphenyl)-1,3-thiazol-2-yl]methanamine
SMILESNCc1nc(-c2ccc(OCc3ccccc3)cc2Cl)cs1
InChIInChI=1S/C17H15ClN2OS/c18-15-8-13(21-10-12-4-2-1-3-5-12)6-7-14(15)16-11-22-17(9-19)20-16/h1-8,11H,9-10,19H2
InChIKeyXOYISMDPOBLTGL-UHFFFAOYSA-N
MW330.84 g/mol
LogP4.50
Rot. Bonds5

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

[4-(2-chloro-4-phenylmethoxyphenyl)-1,3-thiazol-2-yl]methanamine (PubChem CID 3932194) has the molecular formula C17H15ClN2OS and a molecular weight of 330.84 g/mol. Its IUPAC name is [4-(2-chloro-4-phenylmethoxyphenyl)-1,3-thiazol-2-yl]methanamine.

Molecular Properties

Compound Name[4-(2-chloro-4-phenylmethoxyphenyl)-1,3-thiazol-2-yl]methanamine
PubChem CID3932194
Molecular FormulaC17H15ClN2OS
Molecular Weight330.84 g/mol
Exact Mass330.06
IUPAC Name[4-(2-chloro-4-phenylmethoxyphenyl)-1,3-thiazol-2-yl]methanamine
SMILESNCc1nc(-c2ccc(OCc3ccccc3)cc2Cl)cs1
InChIInChI=1S/C17H15ClN2OS/c18-15-8-13(21-10-12-4-2-1-3-5-12)6-7-14(15)16-11-22-17(9-19)20-16/h1-8,11H,9-10,19H2
InChIKeyXOYISMDPOBLTGL-UHFFFAOYSA-N
XLogP4.50
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.84
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(3-phenylmethoxyphenyl)-1,3-thiazol-2-yl]methanamine
CID 4984676
[4-[(3,4-dichlorophenoxy)methyl]-1,3-thiazol-2-yl]methanamine
CID 62484343
2-[4-[2,4-bis(phenylmethoxy)phenyl]-1,3-thiazol-2-yl]acetic acid
CID 5128355
2-(2-chloro-4-phenylmethoxyphenyl)-1,3-thiazole-4-carboxylic acid
CID 42865737
5-(2-chloro-4-phenylmethoxyphenyl)-4-iodo-1H-pyrazol-3-amine
CID 3298518
2-(chloromethyl)-4-(4-phenylmethoxyphenyl)-1,3-thiazole
CID 62922890
1-[4-(2,5-dichloro-4-phenylmethoxyphenyl)-1,3-thiazol-2-yl]-N-methylmethanamine
CID 4242040
4-(2-chlorophenyl)-N-(3-phenylmethoxyphenyl)-1,3-thiazol-2-amine
CID 58791675
4-(2-methyl-4-phenylmethoxyphenyl)-1,3-thiazole-2-carbaldehyde
CID 5236069
2-(2-chloro-4-phenylmethoxyphenyl)-N-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 46066764
4-[3,5-bis(phenylmethoxy)phenyl]-1,3-thiazol-2-amine
CID 4585301
[4-(2-chloro-5-fluoro-4-methylphenyl)-1,3-thiazol-2-yl]methanamine
CID 116964901

Frequently Asked Questions

What is the IUPAC name of [4-(2-chloro-4-phenylmethoxyphenyl)-1,3-thiazol-2-yl]methanamine?
The IUPAC name of [4-(2-chloro-4-phenylmethoxyphenyl)-1,3-thiazol-2-yl]methanamine (CID 3932194) is [4-(2-chloro-4-phenylmethoxyphenyl)-1,3-thiazol-2-yl]methanamine.
What is the SMILES notation for [4-(2-chloro-4-phenylmethoxyphenyl)-1,3-thiazol-2-yl]methanamine?
The canonical SMILES for [4-(2-chloro-4-phenylmethoxyphenyl)-1,3-thiazol-2-yl]methanamine is NCc1nc(-c2ccc(OCc3ccccc3)cc2Cl)cs1.
What is the InChIKey of [4-(2-chloro-4-phenylmethoxyphenyl)-1,3-thiazol-2-yl]methanamine?
The InChIKey is XOYISMDPOBLTGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2OS/c18-15-8-13(21-10-12-4-2-1-3-5-12)6-7-14(15)16-11-22-17(9-19)20-16/h1-8,11H,9-10,19H2.
What are the key properties of [4-(2-chloro-4-phenylmethoxyphenyl)-1,3-thiazol-2-yl]methanamine?
[4-(2-chloro-4-phenylmethoxyphenyl)-1,3-thiazol-2-yl]methanamine has a molecular weight of 330.84 g/mol, XLogP of 4.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-chloro-4-phenylmethoxyphenyl)-1,3-thiazol-2-yl]methanamine is sourced from PubChem (CID 3932194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).