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

C13H17N3O2S2 — CID 121121685

IUPAC5-[(dimethylsulfamoylamino)methyl]-4-methyl-2-phenyl-1,3-thiazole
SMILESCc1nc(-c2ccccc2)sc1CNS(=O)(=O)N(C)C
InChIInChI=1S/C13H17N3O2S2/c1-10-12(9-14-20(17,18)16(2)3)19-13(15-10)11-7-5-4-6-8-11/h4-8,14H,9H2,1-3H3
InChIKeyMBNCQCXNFBQBQK-UHFFFAOYSA-N
MW311.43 g/mol
LogP2.01
Rot. Bonds5

About 5-[(dimethylsulfamoylamino)methyl]-4-methyl-2-phenyl-1,3-thiazole

5-[(dimethylsulfamoylamino)methyl]-4-methyl-2-phenyl-1,3-thiazole (PubChem CID 121121685) has the molecular formula C13H17N3O2S2 and a molecular weight of 311.43 g/mol. Its IUPAC name is 5-[(dimethylsulfamoylamino)methyl]-4-methyl-2-phenyl-1,3-thiazole.

Molecular Properties

Compound Name5-[(dimethylsulfamoylamino)methyl]-4-methyl-2-phenyl-1,3-thiazole
PubChem CID121121685
Molecular FormulaC13H17N3O2S2
Molecular Weight311.43 g/mol
Exact Mass311.08
IUPAC Name5-[(dimethylsulfamoylamino)methyl]-4-methyl-2-phenyl-1,3-thiazole
SMILESCc1nc(-c2ccccc2)sc1CNS(=O)(=O)N(C)C
InChIInChI=1S/C13H17N3O2S2/c1-10-12(9-14-20(17,18)16(2)3)19-13(15-10)11-7-5-4-6-8-11/h4-8,14H,9H2,1-3H3
InChIKeyMBNCQCXNFBQBQK-UHFFFAOYSA-N
XLogP2.01
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]-4-phenylbenzenesulfonamide
CID 121121722
3,4-dimethoxy-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide
CID 121121697
N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide
CID 121123947
(4-methyl-2-phenyl-1,3-thiazol-5-yl)methanamine
CID 2795495
2-methyl-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]-4-nitrobenzenesulfonamide
CID 121121781
2-(methylamino)-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]acetamide;hydrochloride
CID 119772200
(2S)-2-amino-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]propanamide
CID 119316963
N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]pyridine-4-carboxamide
CID 67080034
2,4-dimethyl-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]-1,3-thiazole-5-carboxamide
CID 90546337
2-chloro-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]pyrimidin-4-amine
CID 118733449
2-(4-fluorophenyl)-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]acetamide
CID 90546282
3,5-dimethyl-N-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]benzenesulfonamide
CID 121122475

Frequently Asked Questions

What is the IUPAC name of 5-[(dimethylsulfamoylamino)methyl]-4-methyl-2-phenyl-1,3-thiazole?
The IUPAC name of 5-[(dimethylsulfamoylamino)methyl]-4-methyl-2-phenyl-1,3-thiazole (CID 121121685) is 5-[(dimethylsulfamoylamino)methyl]-4-methyl-2-phenyl-1,3-thiazole.
What is the SMILES notation for 5-[(dimethylsulfamoylamino)methyl]-4-methyl-2-phenyl-1,3-thiazole?
The canonical SMILES for 5-[(dimethylsulfamoylamino)methyl]-4-methyl-2-phenyl-1,3-thiazole is Cc1nc(-c2ccccc2)sc1CNS(=O)(=O)N(C)C.
What is the InChIKey of 5-[(dimethylsulfamoylamino)methyl]-4-methyl-2-phenyl-1,3-thiazole?
The InChIKey is MBNCQCXNFBQBQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2S2/c1-10-12(9-14-20(17,18)16(2)3)19-13(15-10)11-7-5-4-6-8-11/h4-8,14H,9H2,1-3H3.
What are the key properties of 5-[(dimethylsulfamoylamino)methyl]-4-methyl-2-phenyl-1,3-thiazole?
5-[(dimethylsulfamoylamino)methyl]-4-methyl-2-phenyl-1,3-thiazole has a molecular weight of 311.43 g/mol, XLogP of 2.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(dimethylsulfamoylamino)methyl]-4-methyl-2-phenyl-1,3-thiazole is sourced from PubChem (CID 121121685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).