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

C14H16ClNOS — CID 1484591

IUPAC5-[(4-tert-butylphenoxy)methyl]-2-chloro-1,3-thiazole
SMILESCC(C)(C)c1ccc(OCc2cnc(Cl)s2)cc1
InChIInChI=1S/C14H16ClNOS/c1-14(2,3)10-4-6-11(7-5-10)17-9-12-8-16-13(15)18-12/h4-8H,9H2,1-3H3
InChIKeyRXFLNGHIVSQCIL-UHFFFAOYSA-N
MW281.81 g/mol
LogP4.67
Rot. Bonds3

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

5-[(4-tert-butylphenoxy)methyl]-2-chloro-1,3-thiazole (PubChem CID 1484591) has the molecular formula C14H16ClNOS and a molecular weight of 281.81 g/mol. Its IUPAC name is 5-[(4-tert-butylphenoxy)methyl]-2-chloro-1,3-thiazole.

Molecular Properties

Compound Name5-[(4-tert-butylphenoxy)methyl]-2-chloro-1,3-thiazole
PubChem CID1484591
Molecular FormulaC14H16ClNOS
Molecular Weight281.81 g/mol
Exact Mass281.06
IUPAC Name5-[(4-tert-butylphenoxy)methyl]-2-chloro-1,3-thiazole
SMILESCC(C)(C)c1ccc(OCc2cnc(Cl)s2)cc1
InChIInChI=1S/C14H16ClNOS/c1-14(2,3)10-4-6-11(7-5-10)17-9-12-8-16-13(15)18-12/h4-8H,9H2,1-3H3
InChIKeyRXFLNGHIVSQCIL-UHFFFAOYSA-N
XLogP4.67
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.81
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(5-Thiazolemethylene)indane 27a
CID 6539806
5-{[(1Z)-5-methoxy-2,3-dihydro-1H-inden-1-ylidene]methyl}-1,3-thiazole
CID 6539807
5-[4-(2-Pyrrolidin-1-yl-ethoxy)-benzyl]-thiazole
CID 10589458
(E)-3-fluoro-2-[[4-(2-methyl-1,3-thiazol-5-yl)phenoxy]methyl]prop-2-en-1-amine
CID 146512250
(Z)-3-fluoro-2-[[4-(2-methyl-1,3-thiazol-5-yl)phenoxy]methyl]prop-2-en-1-amine
CID 162369023
2-Chloro-5-[(4-methoxyphenoxy)methyl]-1,3-thiazole
CID 1484575
2-Chloro-5-[(2,4-dimethylphenoxy)methyl]-1,3-thiazole
CID 1474888
2-Chloro-5-[(4-ethylphenoxy)methyl]-1,3-thiazole
CID 3477814
5-(4-Methoxyphenyl)thiazole
CID 69645159
5-[[(S)-[(S)-(4-methoxyphenyl)-phenylmethyl]sulfinyl]methyl]-1,3-thiazole
CID 155517981
5-[Bis(4-methoxyphenyl)methylsulfinylmethyl]-1,3-thiazole
CID 155524272
5-[[(R)-[(R)-(4-methoxyphenyl)-phenylmethyl]sulfinyl]methyl]-1,3-thiazole
CID 155528557

Frequently Asked Questions

What is the IUPAC name of 5-[(4-tert-butylphenoxy)methyl]-2-chloro-1,3-thiazole?
The IUPAC name of 5-[(4-tert-butylphenoxy)methyl]-2-chloro-1,3-thiazole (CID 1484591) is 5-[(4-tert-butylphenoxy)methyl]-2-chloro-1,3-thiazole.
What is the SMILES notation for 5-[(4-tert-butylphenoxy)methyl]-2-chloro-1,3-thiazole?
The canonical SMILES for 5-[(4-tert-butylphenoxy)methyl]-2-chloro-1,3-thiazole is CC(C)(C)c1ccc(OCc2cnc(Cl)s2)cc1.
What is the InChIKey of 5-[(4-tert-butylphenoxy)methyl]-2-chloro-1,3-thiazole?
The InChIKey is RXFLNGHIVSQCIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNOS/c1-14(2,3)10-4-6-11(7-5-10)17-9-12-8-16-13(15)18-12/h4-8H,9H2,1-3H3.
What are the key properties of 5-[(4-tert-butylphenoxy)methyl]-2-chloro-1,3-thiazole?
5-[(4-tert-butylphenoxy)methyl]-2-chloro-1,3-thiazole has a molecular weight of 281.81 g/mol, XLogP of 4.67, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-tert-butylphenoxy)methyl]-2-chloro-1,3-thiazole is sourced from PubChem (CID 1484591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).