[2-(4-methoxy-3-propoxyphenyl)-4-methyl-1,3-thiazol-5-yl]methanethiol

C15H19NO2S2 — CID 82427260

IUPAC[2-(4-methoxy-3-propoxyphenyl)-4-methyl-1,3-thiazol-5-yl]methanethiol
SMILESCCCOc1cc(-c2nc(C)c(CS)s2)ccc1OC
InChIInChI=1S/C15H19NO2S2/c1-4-7-18-13-8-11(5-6-12(13)17-3)15-16-10(2)14(9-19)20-15/h5-6,8,19H,4,7,9H2,1-3H3
InChIKeyRCHVQUHHGKDXGV-UHFFFAOYSA-N
MW309.46 g/mol
LogP4.35
Rot. Bonds6

About [2-(4-methoxy-3-propoxyphenyl)-4-methyl-1,3-thiazol-5-yl]methanethiol

[2-(4-methoxy-3-propoxyphenyl)-4-methyl-1,3-thiazol-5-yl]methanethiol (PubChem CID 82427260) has the molecular formula C15H19NO2S2 and a molecular weight of 309.46 g/mol. Its IUPAC name is [2-(4-methoxy-3-propoxyphenyl)-4-methyl-1,3-thiazol-5-yl]methanethiol.

Molecular Properties

Compound Name[2-(4-methoxy-3-propoxyphenyl)-4-methyl-1,3-thiazol-5-yl]methanethiol
PubChem CID82427260
Molecular FormulaC15H19NO2S2
Molecular Weight309.46 g/mol
Exact Mass309.09
IUPAC Name[2-(4-methoxy-3-propoxyphenyl)-4-methyl-1,3-thiazol-5-yl]methanethiol
SMILESCCCOc1cc(-c2nc(C)c(CS)s2)ccc1OC
InChIInChI=1S/C15H19NO2S2/c1-4-7-18-13-8-11(5-6-12(13)17-3)15-16-10(2)14(9-19)20-15/h5-6,8,19H,4,7,9H2,1-3H3
InChIKeyRCHVQUHHGKDXGV-UHFFFAOYSA-N
XLogP4.35
TPSA31.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.46
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

[2-(3-ethoxy-4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]methanethiol
CID 82427206
[2-(4-ethoxy-3-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]methanethiol
CID 82427187
2-[2-(3-methoxy-4-propoxyphenyl)-4-methyl-1,3-thiazol-5-yl]acetonitrile
CID 82427195
[2-(3-ethoxy-4-methoxyphenyl)-4-ethyl-1,3-thiazol-5-yl]methanethiol
CID 82430204
2-(3-methoxy-4-propoxyphenyl)-4-methyl-1,3-thiazole-5-sulfonyl chloride
CID 20989432
2-(3-ethoxy-4-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 20991152
2-(4-methoxy-3-propoxyphenyl)-1,3-thiazole-5-carbothioamide
CID 82424454
2-[[2-(4-methoxy-3-propoxyphenyl)-5-methyl-1,3-thiazol-4-yl]methylsulfanyl]pyrimidin-4-amine
CID 129286646
4-ethyl-2-(3-methoxy-4-propoxyphenyl)-1,3-thiazole-5-carbonitrile
CID 82430197
2-(3,4-dimethoxyphenyl)-N,4-dimethyl-1,3-thiazol-5-amine
CID 116885804
2-[2-[2-(3-butoxy-4-methoxyphenyl)-5-propyl-1,3-thiazol-4-yl]ethyl]pyrimidine-4,6-diamine
CID 122492018
2-[4-methoxy-3-[2-(2-methylphenoxy)ethoxy]phenyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 20990695

Frequently Asked Questions

What is the IUPAC name of [2-(4-methoxy-3-propoxyphenyl)-4-methyl-1,3-thiazol-5-yl]methanethiol?
The IUPAC name of [2-(4-methoxy-3-propoxyphenyl)-4-methyl-1,3-thiazol-5-yl]methanethiol (CID 82427260) is [2-(4-methoxy-3-propoxyphenyl)-4-methyl-1,3-thiazol-5-yl]methanethiol.
What is the SMILES notation for [2-(4-methoxy-3-propoxyphenyl)-4-methyl-1,3-thiazol-5-yl]methanethiol?
The canonical SMILES for [2-(4-methoxy-3-propoxyphenyl)-4-methyl-1,3-thiazol-5-yl]methanethiol is CCCOc1cc(-c2nc(C)c(CS)s2)ccc1OC.
What is the InChIKey of [2-(4-methoxy-3-propoxyphenyl)-4-methyl-1,3-thiazol-5-yl]methanethiol?
The InChIKey is RCHVQUHHGKDXGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2S2/c1-4-7-18-13-8-11(5-6-12(13)17-3)15-16-10(2)14(9-19)20-15/h5-6,8,19H,4,7,9H2,1-3H3.
What are the key properties of [2-(4-methoxy-3-propoxyphenyl)-4-methyl-1,3-thiazol-5-yl]methanethiol?
[2-(4-methoxy-3-propoxyphenyl)-4-methyl-1,3-thiazol-5-yl]methanethiol has a molecular weight of 309.46 g/mol, XLogP of 4.35, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methoxy-3-propoxyphenyl)-4-methyl-1,3-thiazol-5-yl]methanethiol is sourced from PubChem (CID 82427260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).