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

C14H16ClNOS — CID 79764359

IUPAC2-chloro-5-[(3-methyl-4-propan-2-ylphenoxy)methyl]-1,3-thiazole
SMILESCc1cc(OCc2cnc(Cl)s2)ccc1C(C)C
InChIInChI=1S/C14H16ClNOS/c1-9(2)13-5-4-11(6-10(13)3)17-8-12-7-16-14(15)18-12/h4-7,9H,8H2,1-3H3
InChIKeyHWVUUVQZXJWJPY-UHFFFAOYSA-N
MW281.81 g/mol
LogP4.81
Rot. Bonds4

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

2-chloro-5-[(3-methyl-4-propan-2-ylphenoxy)methyl]-1,3-thiazole (PubChem CID 79764359) has the molecular formula C14H16ClNOS and a molecular weight of 281.81 g/mol. Its IUPAC name is 2-chloro-5-[(3-methyl-4-propan-2-ylphenoxy)methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-chloro-5-[(3-methyl-4-propan-2-ylphenoxy)methyl]-1,3-thiazole
PubChem CID79764359
Molecular FormulaC14H16ClNOS
Molecular Weight281.81 g/mol
Exact Mass281.06
IUPAC Name2-chloro-5-[(3-methyl-4-propan-2-ylphenoxy)methyl]-1,3-thiazole
SMILESCc1cc(OCc2cnc(Cl)s2)ccc1C(C)C
InChIInChI=1S/C14H16ClNOS/c1-9(2)13-5-4-11(6-10(13)3)17-8-12-7-16-14(15)18-12/h4-7,9H,8H2,1-3H3
InChIKeyHWVUUVQZXJWJPY-UHFFFAOYSA-N
XLogP4.81
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.81
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-5-[(3-methoxyphenoxy)methyl]-1,3-thiazole
CID 79764226
2-chloro-5-[(2-propan-2-ylphenoxy)methyl]-1,3-thiazole
CID 79765645
2-chloro-5-[(3-methylphenoxy)methyl]-1,3-thiazole;ethane
CID 145486679
2-chloro-5-[(4-methoxyphenoxy)methyl]-1,3-thiazole
CID 1484575
2-chloro-5-[(4-propoxyphenoxy)methyl]-1,3-thiazole
CID 79764860
5-[(3-methyl-4-propan-2-ylphenoxy)methyl]thiophene-2-carbohydrazide
CID 63576843
N-methyl-5-[(3-methyl-4-propan-2-ylphenoxy)methyl]-1,3,4-thiadiazol-2-amine
CID 80607941
2-chloro-5-[(2,5-dimethylphenoxy)methyl]-1,3-thiazole
CID 79764612
[5-[(3-methyl-4-propan-2-ylphenoxy)methyl]furan-2-yl]methanamine
CID 62454908
2-methyl-3-(3-methyl-4-propan-2-ylphenoxy)propanenitrile
CID 43367430
3-(3-methyl-4-propan-2-ylphenoxy)propan-1-ol
CID 43509991
2-chloro-5-[(2,3,5-trimethylphenoxy)methyl]-1,3-thiazole
CID 79764739

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[(3-methyl-4-propan-2-ylphenoxy)methyl]-1,3-thiazole?
The IUPAC name of 2-chloro-5-[(3-methyl-4-propan-2-ylphenoxy)methyl]-1,3-thiazole (CID 79764359) is 2-chloro-5-[(3-methyl-4-propan-2-ylphenoxy)methyl]-1,3-thiazole.
What is the SMILES notation for 2-chloro-5-[(3-methyl-4-propan-2-ylphenoxy)methyl]-1,3-thiazole?
The canonical SMILES for 2-chloro-5-[(3-methyl-4-propan-2-ylphenoxy)methyl]-1,3-thiazole is Cc1cc(OCc2cnc(Cl)s2)ccc1C(C)C.
What is the InChIKey of 2-chloro-5-[(3-methyl-4-propan-2-ylphenoxy)methyl]-1,3-thiazole?
The InChIKey is HWVUUVQZXJWJPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNOS/c1-9(2)13-5-4-11(6-10(13)3)17-8-12-7-16-14(15)18-12/h4-7,9H,8H2,1-3H3.
What are the key properties of 2-chloro-5-[(3-methyl-4-propan-2-ylphenoxy)methyl]-1,3-thiazole?
2-chloro-5-[(3-methyl-4-propan-2-ylphenoxy)methyl]-1,3-thiazole has a molecular weight of 281.81 g/mol, XLogP of 4.81, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[(3-methyl-4-propan-2-ylphenoxy)methyl]-1,3-thiazole is sourced from PubChem (CID 79764359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).