2-chloro-5-[(2-propan-2-ylphenoxy)methyl]-1,3-thiazole

C13H14ClNOS — CID 79765645

IUPAC2-chloro-5-[(2-propan-2-ylphenoxy)methyl]-1,3-thiazole
SMILESCC(C)c1ccccc1OCc1cnc(Cl)s1
InChIInChI=1S/C13H14ClNOS/c1-9(2)11-5-3-4-6-12(11)16-8-10-7-15-13(14)17-10/h3-7,9H,8H2,1-2H3
InChIKeyITXMDXNGLWUKKV-UHFFFAOYSA-N
MW267.78 g/mol
LogP4.50
Rot. Bonds4

About 2-chloro-5-[(2-propan-2-ylphenoxy)methyl]-1,3-thiazole

2-chloro-5-[(2-propan-2-ylphenoxy)methyl]-1,3-thiazole (PubChem CID 79765645) has the molecular formula C13H14ClNOS and a molecular weight of 267.78 g/mol. Its IUPAC name is 2-chloro-5-[(2-propan-2-ylphenoxy)methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-chloro-5-[(2-propan-2-ylphenoxy)methyl]-1,3-thiazole
PubChem CID79765645
Molecular FormulaC13H14ClNOS
Molecular Weight267.78 g/mol
Exact Mass267.05
IUPAC Name2-chloro-5-[(2-propan-2-ylphenoxy)methyl]-1,3-thiazole
SMILESCC(C)c1ccccc1OCc1cnc(Cl)s1
InChIInChI=1S/C13H14ClNOS/c1-9(2)11-5-3-4-6-12(11)16-8-10-7-15-13(14)17-10/h3-7,9H,8H2,1-2H3
InChIKeyITXMDXNGLWUKKV-UHFFFAOYSA-N
XLogP4.50
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.78
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-5-[(2-propan-2-ylphenoxy)methyl]-1,3-thiazol-2-amine
CID 79774389
5-[(2-propan-2-ylphenoxy)methyl]-1,3-thiazole
CID 112644779
2-chloro-5-[(2-propan-2-ylphenoxy)methyl]-1,3,4-thiadiazole
CID 80610479
2-chloro-5-[(3-methyl-4-propan-2-ylphenoxy)methyl]-1,3-thiazole
CID 79764359
4,6-dichloro-2-[(2-propan-2-ylphenoxy)methyl]pyrimidine
CID 82169635
4-[(2-propan-2-ylphenoxy)methyl]-1,3-thiazole
CID 64764025
N-[1-[2-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]ethyl]propan-1-amine
CID 63020465
1-iodo-4-[(2-propan-2-ylphenoxy)methyl]benzene
CID 65491120
2-chloro-5-[(2,4-difluorophenoxy)methyl]-1,3-thiazole
CID 79764988
2-chloro-5-[(2,5-dimethylphenoxy)methyl]-1,3-thiazole
CID 79764612
2-chloro-5-[(2-methyl-3-nitrophenoxy)methyl]-1,3-thiazole
CID 79764108
2-(2-chloroethyl)-5-[(2-propan-2-ylphenoxy)methyl]-1,3,4-oxadiazole
CID 39380749

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[(2-propan-2-ylphenoxy)methyl]-1,3-thiazole?
The IUPAC name of 2-chloro-5-[(2-propan-2-ylphenoxy)methyl]-1,3-thiazole (CID 79765645) is 2-chloro-5-[(2-propan-2-ylphenoxy)methyl]-1,3-thiazole.
What is the SMILES notation for 2-chloro-5-[(2-propan-2-ylphenoxy)methyl]-1,3-thiazole?
The canonical SMILES for 2-chloro-5-[(2-propan-2-ylphenoxy)methyl]-1,3-thiazole is CC(C)c1ccccc1OCc1cnc(Cl)s1.
What is the InChIKey of 2-chloro-5-[(2-propan-2-ylphenoxy)methyl]-1,3-thiazole?
The InChIKey is ITXMDXNGLWUKKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClNOS/c1-9(2)11-5-3-4-6-12(11)16-8-10-7-15-13(14)17-10/h3-7,9H,8H2,1-2H3.
What are the key properties of 2-chloro-5-[(2-propan-2-ylphenoxy)methyl]-1,3-thiazole?
2-chloro-5-[(2-propan-2-ylphenoxy)methyl]-1,3-thiazole has a molecular weight of 267.78 g/mol, XLogP of 4.50, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[(2-propan-2-ylphenoxy)methyl]-1,3-thiazole is sourced from PubChem (CID 79765645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).