4-[(dimethylsulfamoylamino)methyl]-2-(4-methoxyphenyl)-1,3-thiazole

C13H17N3O3S2 — CID 6623690

IUPAC4-[(dimethylsulfamoylamino)methyl]-2-(4-methoxyphenyl)-1,3-thiazole
SMILESCOc1ccc(-c2nc(CNS(=O)(=O)N(C)C)cs2)cc1
InChIInChI=1S/C13H17N3O3S2/c1-16(2)21(17,18)14-8-11-9-20-13(15-11)10-4-6-12(19-3)7-5-10/h4-7,9,14H,8H2,1-3H3
InChIKeyDYSSZWOQAJMHLK-UHFFFAOYSA-N
MW327.43 g/mol
LogP1.71
Rot. Bonds6

About 4-[(dimethylsulfamoylamino)methyl]-2-(4-methoxyphenyl)-1,3-thiazole

4-[(dimethylsulfamoylamino)methyl]-2-(4-methoxyphenyl)-1,3-thiazole (PubChem CID 6623690) has the molecular formula C13H17N3O3S2 and a molecular weight of 327.43 g/mol. Its IUPAC name is 4-[(dimethylsulfamoylamino)methyl]-2-(4-methoxyphenyl)-1,3-thiazole.

Molecular Properties

Compound Name4-[(dimethylsulfamoylamino)methyl]-2-(4-methoxyphenyl)-1,3-thiazole
PubChem CID6623690
Molecular FormulaC13H17N3O3S2
Molecular Weight327.43 g/mol
Exact Mass327.07
IUPAC Name4-[(dimethylsulfamoylamino)methyl]-2-(4-methoxyphenyl)-1,3-thiazole
SMILESCOc1ccc(-c2nc(CNS(=O)(=O)N(C)C)cs2)cc1
InChIInChI=1S/C13H17N3O3S2/c1-16(2)21(17,18)14-8-11-9-20-13(15-11)10-4-6-12(19-3)7-5-10/h4-7,9,14H,8H2,1-3H3
InChIKeyDYSSZWOQAJMHLK-UHFFFAOYSA-N
XLogP1.71
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(dimethylsulfamoylamino)methyl]-2-(4-methoxyphenyl)-1,3-thiazole?
The IUPAC name of 4-[(dimethylsulfamoylamino)methyl]-2-(4-methoxyphenyl)-1,3-thiazole (CID 6623690) is 4-[(dimethylsulfamoylamino)methyl]-2-(4-methoxyphenyl)-1,3-thiazole.
What is the SMILES notation for 4-[(dimethylsulfamoylamino)methyl]-2-(4-methoxyphenyl)-1,3-thiazole?
The canonical SMILES for 4-[(dimethylsulfamoylamino)methyl]-2-(4-methoxyphenyl)-1,3-thiazole is COc1ccc(-c2nc(CNS(=O)(=O)N(C)C)cs2)cc1.
What is the InChIKey of 4-[(dimethylsulfamoylamino)methyl]-2-(4-methoxyphenyl)-1,3-thiazole?
The InChIKey is DYSSZWOQAJMHLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3S2/c1-16(2)21(17,18)14-8-11-9-20-13(15-11)10-4-6-12(19-3)7-5-10/h4-7,9,14H,8H2,1-3H3.
What are the key properties of 4-[(dimethylsulfamoylamino)methyl]-2-(4-methoxyphenyl)-1,3-thiazole?
4-[(dimethylsulfamoylamino)methyl]-2-(4-methoxyphenyl)-1,3-thiazole has a molecular weight of 327.43 g/mol, XLogP of 1.71, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(dimethylsulfamoylamino)methyl]-2-(4-methoxyphenyl)-1,3-thiazole is sourced from PubChem (CID 6623690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).