2-chloro-5-[(4-propoxyphenoxy)methyl]-1,3-thiazole

C13H14ClNO2S — CID 79764860

IUPAC2-chloro-5-[(4-propoxyphenoxy)methyl]-1,3-thiazole
SMILESCCCOc1ccc(OCc2cnc(Cl)s2)cc1
InChIInChI=1S/C13H14ClNO2S/c1-2-7-16-10-3-5-11(6-4-10)17-9-12-8-15-13(14)18-12/h3-6,8H,2,7,9H2,1H3
InChIKeyQDGLEEBIOSZKMA-UHFFFAOYSA-N
MW283.78 g/mol
LogP4.16
Rot. Bonds6

About 2-chloro-5-[(4-propoxyphenoxy)methyl]-1,3-thiazole

2-chloro-5-[(4-propoxyphenoxy)methyl]-1,3-thiazole (PubChem CID 79764860) has the molecular formula C13H14ClNO2S and a molecular weight of 283.78 g/mol. Its IUPAC name is 2-chloro-5-[(4-propoxyphenoxy)methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-chloro-5-[(4-propoxyphenoxy)methyl]-1,3-thiazole
PubChem CID79764860
Molecular FormulaC13H14ClNO2S
Molecular Weight283.78 g/mol
Exact Mass283.04
IUPAC Name2-chloro-5-[(4-propoxyphenoxy)methyl]-1,3-thiazole
SMILESCCCOc1ccc(OCc2cnc(Cl)s2)cc1
InChIInChI=1S/C13H14ClNO2S/c1-2-7-16-10-3-5-11(6-4-10)17-9-12-8-15-13(14)18-12/h3-6,8H,2,7,9H2,1H3
InChIKeyQDGLEEBIOSZKMA-UHFFFAOYSA-N
XLogP4.16
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.78
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-5-[(4-methoxyphenoxy)methyl]-1,3-thiazole
CID 1484575
5-[(4-propoxyphenoxy)methyl]-N-propyl-1,3-thiazol-2-amine
CID 79762271
4-[(2-chloro-1,3-thiazol-5-yl)methoxy]-N,N-diethylbenzamide
CID 166187595
2-chloro-5-[(3-methoxyphenoxy)methyl]-1,3-thiazole
CID 79764226
2-chloro-5-(hexoxymethyl)-1,3-thiazole
CID 79765509
2-chloro-5-[(3-methyl-4-propan-2-ylphenoxy)methyl]-1,3-thiazole
CID 79764359
2-chloro-5-[(3-methylphenoxy)methyl]-1,3-thiazole;ethane
CID 145486679
5-[(4-propan-2-ylphenoxy)methyl]-N-propyl-1,3-thiazol-2-amine
CID 79774581
2-chloro-5-propyl-1,3-thiazole
CID 56625607
5-chloro-3-(4-propoxyphenyl)-1,2-oxazole
CID 80646468
N-[[2-(4-propoxyphenyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 62495260
5-[(4-fluorophenoxy)methyl]-N-propyl-1,3-thiazol-2-amine
CID 79775240

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[(4-propoxyphenoxy)methyl]-1,3-thiazole?
The IUPAC name of 2-chloro-5-[(4-propoxyphenoxy)methyl]-1,3-thiazole (CID 79764860) is 2-chloro-5-[(4-propoxyphenoxy)methyl]-1,3-thiazole.
What is the SMILES notation for 2-chloro-5-[(4-propoxyphenoxy)methyl]-1,3-thiazole?
The canonical SMILES for 2-chloro-5-[(4-propoxyphenoxy)methyl]-1,3-thiazole is CCCOc1ccc(OCc2cnc(Cl)s2)cc1.
What is the InChIKey of 2-chloro-5-[(4-propoxyphenoxy)methyl]-1,3-thiazole?
The InChIKey is QDGLEEBIOSZKMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClNO2S/c1-2-7-16-10-3-5-11(6-4-10)17-9-12-8-15-13(14)18-12/h3-6,8H,2,7,9H2,1H3.
What are the key properties of 2-chloro-5-[(4-propoxyphenoxy)methyl]-1,3-thiazole?
2-chloro-5-[(4-propoxyphenoxy)methyl]-1,3-thiazole has a molecular weight of 283.78 g/mol, XLogP of 4.16, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[(4-propoxyphenoxy)methyl]-1,3-thiazole is sourced from PubChem (CID 79764860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).