2-chloro-5-(2-methylpropyl)-4-(3-phenylmethoxyphenyl)-1,3-thiazole;ethane

C22H26ClNOS — CID 167489217

IUPAC2-chloro-5-(2-methylpropyl)-4-(3-phenylmethoxyphenyl)-1,3-thiazole;ethane
SMILESCC.CC(C)Cc1sc(Cl)nc1-c1cccc(OCc2ccccc2)c1
InChIInChI=1S/C20H20ClNOS.C2H6/c1-14(2)11-18-19(22-20(21)24-18)16-9-6-10-17(12-16)23-13-15-7-4-3-5-8-15;1-2/h3-10,12,14H,11,13H2,1-2H3;1-2H3
InChIKeyDGVMKNMHGNXOSV-UHFFFAOYSA-N
MW387.98 g/mol
LogP7.27
Rot. Bonds6

About 2-chloro-5-(2-methylpropyl)-4-(3-phenylmethoxyphenyl)-1,3-thiazole;ethane

2-chloro-5-(2-methylpropyl)-4-(3-phenylmethoxyphenyl)-1,3-thiazole;ethane (PubChem CID 167489217) has the molecular formula C22H26ClNOS and a molecular weight of 387.98 g/mol. Its IUPAC name is 2-chloro-5-(2-methylpropyl)-4-(3-phenylmethoxyphenyl)-1,3-thiazole;ethane.

Molecular Properties

Compound Name2-chloro-5-(2-methylpropyl)-4-(3-phenylmethoxyphenyl)-1,3-thiazole;ethane
PubChem CID167489217
Molecular FormulaC22H26ClNOS
Molecular Weight387.98 g/mol
Exact Mass387.14
IUPAC Name2-chloro-5-(2-methylpropyl)-4-(3-phenylmethoxyphenyl)-1,3-thiazole;ethane
SMILESCC.CC(C)Cc1sc(Cl)nc1-c1cccc(OCc2ccccc2)c1
InChIInChI=1S/C20H20ClNOS.C2H6/c1-14(2)11-18-19(22-20(21)24-18)16-9-6-10-17(12-16)23-13-15-7-4-3-5-8-15;1-2/h3-10,12,14H,11,13H2,1-2H3;1-2H3
InChIKeyDGVMKNMHGNXOSV-UHFFFAOYSA-N
XLogP7.27
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.98
LogP ≤ 57.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-(3-phenylmethoxyphenyl)-1,3-thiazol-2-amine
CID 164893342
3-(3-phenylmethoxyphenyl)-2-propan-2-ylpyridine
CID 71204410
5-chloro-6-(3-phenylmethoxyphenyl)pyridin-3-amine
CID 166595361
5-(2-chloropyrimidin-4-yl)-4-(3-phenylmethoxyphenyl)-1,3-thiazol-2-amine
CID 58236707
1-[2-chloro-4-(3-phenylmethoxyphenyl)phenyl]ethanamine
CID 174674361
2-chloro-4-[4-fluoro-3-(2-methoxyethoxy)phenyl]-5-(2-methylpropyl)-1,3-thiazole
CID 167489213
2-chloro-4-(3-methoxyphenyl)-5-propan-2-yl-1,3-thiazole
CID 160973028
2-chloro-4-[4-(2-methoxyethoxy)-3-(trifluoromethyl)phenyl]-5-(2-methylpropyl)-1,3-thiazole
CID 167489101
2-chloro-5-(3-methoxyphenyl)-4-phenyl-1,3-thiazole
CID 54307577
1-methyl-5-(3-phenylmethoxyphenyl)pyrazole
CID 175709836
1,3-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]-5-(2-methylpropyl)benzene
CID 59422757
4-(chloromethyl)-2-(3-phenylmethoxyphenyl)-1,3-oxazole
CID 22009622

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(2-methylpropyl)-4-(3-phenylmethoxyphenyl)-1,3-thiazole;ethane?
The IUPAC name of 2-chloro-5-(2-methylpropyl)-4-(3-phenylmethoxyphenyl)-1,3-thiazole;ethane (CID 167489217) is 2-chloro-5-(2-methylpropyl)-4-(3-phenylmethoxyphenyl)-1,3-thiazole;ethane.
What is the SMILES notation for 2-chloro-5-(2-methylpropyl)-4-(3-phenylmethoxyphenyl)-1,3-thiazole;ethane?
The canonical SMILES for 2-chloro-5-(2-methylpropyl)-4-(3-phenylmethoxyphenyl)-1,3-thiazole;ethane is CC.CC(C)Cc1sc(Cl)nc1-c1cccc(OCc2ccccc2)c1.
What is the InChIKey of 2-chloro-5-(2-methylpropyl)-4-(3-phenylmethoxyphenyl)-1,3-thiazole;ethane?
The InChIKey is DGVMKNMHGNXOSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClNOS.C2H6/c1-14(2)11-18-19(22-20(21)24-18)16-9-6-10-17(12-16)23-13-15-7-4-3-5-8-15;1-2/h3-10,12,14H,11,13H2,1-2H3;1-2H3.
What are the key properties of 2-chloro-5-(2-methylpropyl)-4-(3-phenylmethoxyphenyl)-1,3-thiazole;ethane?
2-chloro-5-(2-methylpropyl)-4-(3-phenylmethoxyphenyl)-1,3-thiazole;ethane has a molecular weight of 387.98 g/mol, XLogP of 7.27, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(2-methylpropyl)-4-(3-phenylmethoxyphenyl)-1,3-thiazole;ethane is sourced from PubChem (CID 167489217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).