2-(3-methoxy-4-propoxyphenyl)-4-methyl-1,3-thiazole-5-sulfonyl chloride

C14H16ClNO4S2 — CID 20989432

IUPAC2-(3-methoxy-4-propoxyphenyl)-4-methyl-1,3-thiazole-5-sulfonyl chloride
SMILESCCCOc1ccc(-c2nc(C)c(S(=O)(=O)Cl)s2)cc1OC
InChIInChI=1S/C14H16ClNO4S2/c1-4-7-20-11-6-5-10(8-12(11)19-3)13-16-9(2)14(21-13)22(15,17)18/h5-6,8H,4,7H2,1-3H3
InChIKeySSDJWDGILRVQIN-UHFFFAOYSA-N
MW361.87 g/mol
LogP3.84
Rot. Bonds6

About 2-(3-methoxy-4-propoxyphenyl)-4-methyl-1,3-thiazole-5-sulfonyl chloride

2-(3-methoxy-4-propoxyphenyl)-4-methyl-1,3-thiazole-5-sulfonyl chloride (PubChem CID 20989432) has the molecular formula C14H16ClNO4S2 and a molecular weight of 361.87 g/mol. Its IUPAC name is 2-(3-methoxy-4-propoxyphenyl)-4-methyl-1,3-thiazole-5-sulfonyl chloride.

Molecular Properties

Compound Name2-(3-methoxy-4-propoxyphenyl)-4-methyl-1,3-thiazole-5-sulfonyl chloride
PubChem CID20989432
Molecular FormulaC14H16ClNO4S2
Molecular Weight361.87 g/mol
Exact Mass361.02
IUPAC Name2-(3-methoxy-4-propoxyphenyl)-4-methyl-1,3-thiazole-5-sulfonyl chloride
SMILESCCCOc1ccc(-c2nc(C)c(S(=O)(=O)Cl)s2)cc1OC
InChIInChI=1S/C14H16ClNO4S2/c1-4-7-20-11-6-5-10(8-12(11)19-3)13-16-9(2)14(21-13)22(15,17)18/h5-6,8H,4,7H2,1-3H3
InChIKeySSDJWDGILRVQIN-UHFFFAOYSA-N
XLogP3.84
TPSA65.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.87
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-(3-methoxy-4-propoxyphenyl)-4-methyl-1,3-thiazol-5-yl]acetonitrile
CID 82427195
[2-(4-methoxy-3-propoxyphenyl)-4-methyl-1,3-thiazol-5-yl]methanethiol
CID 82427260
2-(4-methoxy-2-pentoxyphenyl)-4-methyl-1,3-thiazole-5-sulfonyl chloride
CID 22687029
2-(3-chloro-4,5-diethoxyphenyl)-4-methyl-1,3-thiazole-5-sulfonyl chloride
CID 20984453
2-[2-(4-ethoxy-3-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]propan-2-ol
CID 82427189
4-ethyl-2-(3-methoxy-4-propoxyphenyl)-1,3-thiazole-5-carbonitrile
CID 82430197
3-(3-methoxy-4-propoxyphenyl)-5-methyl-1,2,4-oxadiazole
CID 46043975
[2-(4-ethoxy-3-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]methanethiol
CID 82427187
2-[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 20988996
2-(3-methoxy-4-propoxyphenyl)-N-methyl-N-propan-2-yl-1,3-thiazole-4-carboxamide
CID 46068006
2-[2-(3-methoxy-4-propoxyphenyl)-1,3-thiazol-4-yl]propan-2-ol
CID 82515913
2-(3,4-dimethoxyphenyl)-N,4-dimethyl-1,3-thiazol-5-amine
CID 116885804

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxy-4-propoxyphenyl)-4-methyl-1,3-thiazole-5-sulfonyl chloride?
The IUPAC name of 2-(3-methoxy-4-propoxyphenyl)-4-methyl-1,3-thiazole-5-sulfonyl chloride (CID 20989432) is 2-(3-methoxy-4-propoxyphenyl)-4-methyl-1,3-thiazole-5-sulfonyl chloride.
What is the SMILES notation for 2-(3-methoxy-4-propoxyphenyl)-4-methyl-1,3-thiazole-5-sulfonyl chloride?
The canonical SMILES for 2-(3-methoxy-4-propoxyphenyl)-4-methyl-1,3-thiazole-5-sulfonyl chloride is CCCOc1ccc(-c2nc(C)c(S(=O)(=O)Cl)s2)cc1OC.
What is the InChIKey of 2-(3-methoxy-4-propoxyphenyl)-4-methyl-1,3-thiazole-5-sulfonyl chloride?
The InChIKey is SSDJWDGILRVQIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNO4S2/c1-4-7-20-11-6-5-10(8-12(11)19-3)13-16-9(2)14(21-13)22(15,17)18/h5-6,8H,4,7H2,1-3H3.
What are the key properties of 2-(3-methoxy-4-propoxyphenyl)-4-methyl-1,3-thiazole-5-sulfonyl chloride?
2-(3-methoxy-4-propoxyphenyl)-4-methyl-1,3-thiazole-5-sulfonyl chloride has a molecular weight of 361.87 g/mol, XLogP of 3.84, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxy-4-propoxyphenyl)-4-methyl-1,3-thiazole-5-sulfonyl chloride is sourced from PubChem (CID 20989432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).