2-methyl-2-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]butanethioamide

C9H15N3O2S3 — CID 103414629

IUPAC2-methyl-2-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]butanethioamide
SMILESCCC(C)(NS(=O)(=O)c1cnc(C)s1)C(N)=S
InChIInChI=1S/C9H15N3O2S3/c1-4-9(3,8(10)15)12-17(13,14)7-5-11-6(2)16-7/h5,12H,4H2,1-3H3,(H2,10,15)
InChIKeyPFUUHQZIQDEHIN-UHFFFAOYSA-N
MW293.44 g/mol
LogP1.18
Rot. Bonds5

About 2-methyl-2-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]butanethioamide

2-methyl-2-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]butanethioamide (PubChem CID 103414629) has the molecular formula C9H15N3O2S3 and a molecular weight of 293.44 g/mol. Its IUPAC name is 2-methyl-2-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]butanethioamide.

Molecular Properties

Compound Name2-methyl-2-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]butanethioamide
PubChem CID103414629
Molecular FormulaC9H15N3O2S3
Molecular Weight293.44 g/mol
Exact Mass293.03
IUPAC Name2-methyl-2-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]butanethioamide
SMILESCCC(C)(NS(=O)(=O)c1cnc(C)s1)C(N)=S
InChIInChI=1S/C9H15N3O2S3/c1-4-9(3,8(10)15)12-17(13,14)7-5-11-6(2)16-7/h5,12H,4H2,1-3H3,(H2,10,15)
InChIKeyPFUUHQZIQDEHIN-UHFFFAOYSA-N
XLogP1.18
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.44
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-Methylthiazole-5-sulfonamide
CID 13517396
2-Methylaminomethyl-1,3-thiazole-5-sulphonamide
CID 21957438
2-(Propan-2-yl)-1,3-thiazole-5-sulfonamide
CID 22019485
2-N-tert-butyl-1,3-thiazole-2,5-disulfonamide
CID 22406988
2-Chloro-thiazole-5-sulfonic acid tert-butylamide
CID 43455771
N,N,2-trimethyl-1,3-thiazole-5-sulfonamide
CID 58328486
N-tert-butyl-1,3-thiazole-5-sulfonamide
CID 69132537
N-propan-2-yl-1,3-thiazole-5-sulfonamide
CID 69522570
2-Ethyl-1,3-thiazole-5-sulfonamide
CID 86037919
N-tert-butyl-2-methyl-1,3-thiazole-5-sulfonamide
CID 103847837
2-Methyl-5-piperazin-1-ylsulfonyl-1,3-thiazole
CID 103951395
2-(Aminomethyl)-1,3-thiazole-5-sulfonamide
CID 119094673

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]butanethioamide?
The IUPAC name of 2-methyl-2-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]butanethioamide (CID 103414629) is 2-methyl-2-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]butanethioamide.
What is the SMILES notation for 2-methyl-2-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]butanethioamide?
The canonical SMILES for 2-methyl-2-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]butanethioamide is CCC(C)(NS(=O)(=O)c1cnc(C)s1)C(N)=S.
What is the InChIKey of 2-methyl-2-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]butanethioamide?
The InChIKey is PFUUHQZIQDEHIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2S3/c1-4-9(3,8(10)15)12-17(13,14)7-5-11-6(2)16-7/h5,12H,4H2,1-3H3,(H2,10,15).
What are the key properties of 2-methyl-2-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]butanethioamide?
2-methyl-2-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]butanethioamide has a molecular weight of 293.44 g/mol, XLogP of 1.18, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]butanethioamide is sourced from PubChem (CID 103414629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).