2-(tert-butylsulfonylmethyl)-4-(3,4-dichlorophenyl)-1,3-thiazole

C14H15Cl2NO2S2 — CID 2742366

IUPAC2-(tert-butylsulfonylmethyl)-4-(3,4-dichlorophenyl)-1,3-thiazole
SMILESCC(C)(C)S(=O)(=O)Cc1nc(-c2ccc(Cl)c(Cl)c2)cs1
InChIInChI=1S/C14H15Cl2NO2S2/c1-14(2,3)21(18,19)8-13-17-12(7-20-13)9-4-5-10(15)11(16)6-9/h4-7H,8H2,1-3H3
InChIKeyNCYCGMNVYNFDPD-UHFFFAOYSA-N
MW364.32 g/mol
LogP4.83
Rot. Bonds3

About 2-(tert-butylsulfonylmethyl)-4-(3,4-dichlorophenyl)-1,3-thiazole

2-(tert-butylsulfonylmethyl)-4-(3,4-dichlorophenyl)-1,3-thiazole (PubChem CID 2742366) has the molecular formula C14H15Cl2NO2S2 and a molecular weight of 364.32 g/mol. Its IUPAC name is 2-(tert-butylsulfonylmethyl)-4-(3,4-dichlorophenyl)-1,3-thiazole.

Molecular Properties

Compound Name2-(tert-butylsulfonylmethyl)-4-(3,4-dichlorophenyl)-1,3-thiazole
PubChem CID2742366
Molecular FormulaC14H15Cl2NO2S2
Molecular Weight364.32 g/mol
Exact Mass362.99
IUPAC Name2-(tert-butylsulfonylmethyl)-4-(3,4-dichlorophenyl)-1,3-thiazole
SMILESCC(C)(C)S(=O)(=O)Cc1nc(-c2ccc(Cl)c(Cl)c2)cs1
InChIInChI=1S/C14H15Cl2NO2S2/c1-14(2,3)21(18,19)8-13-17-12(7-20-13)9-4-5-10(15)11(16)6-9/h4-7H,8H2,1-3H3
InChIKeyNCYCGMNVYNFDPD-UHFFFAOYSA-N
XLogP4.83
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.32
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(tert-butylsulfonylmethyl)-4-(3,4-dichlorophenyl)-1,3-thiazole?
The IUPAC name of 2-(tert-butylsulfonylmethyl)-4-(3,4-dichlorophenyl)-1,3-thiazole (CID 2742366) is 2-(tert-butylsulfonylmethyl)-4-(3,4-dichlorophenyl)-1,3-thiazole.
What is the SMILES notation for 2-(tert-butylsulfonylmethyl)-4-(3,4-dichlorophenyl)-1,3-thiazole?
The canonical SMILES for 2-(tert-butylsulfonylmethyl)-4-(3,4-dichlorophenyl)-1,3-thiazole is CC(C)(C)S(=O)(=O)Cc1nc(-c2ccc(Cl)c(Cl)c2)cs1.
What is the InChIKey of 2-(tert-butylsulfonylmethyl)-4-(3,4-dichlorophenyl)-1,3-thiazole?
The InChIKey is NCYCGMNVYNFDPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl2NO2S2/c1-14(2,3)21(18,19)8-13-17-12(7-20-13)9-4-5-10(15)11(16)6-9/h4-7H,8H2,1-3H3.
What are the key properties of 2-(tert-butylsulfonylmethyl)-4-(3,4-dichlorophenyl)-1,3-thiazole?
2-(tert-butylsulfonylmethyl)-4-(3,4-dichlorophenyl)-1,3-thiazole has a molecular weight of 364.32 g/mol, XLogP of 4.83, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tert-butylsulfonylmethyl)-4-(3,4-dichlorophenyl)-1,3-thiazole is sourced from PubChem (CID 2742366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).