2-[(2-methyl-1,3-thiazol-5-yl)sulfonyl-propan-2-ylamino]ethanethioamide

C9H15N3O2S3 — CID 103414692

IUPAC2-[(2-methyl-1,3-thiazol-5-yl)sulfonyl-propan-2-ylamino]ethanethioamide
SMILESCc1ncc(S(=O)(=O)N(CC(N)=S)C(C)C)s1
InChIInChI=1S/C9H15N3O2S3/c1-6(2)12(5-8(10)15)17(13,14)9-4-11-7(3)16-9/h4,6H,5H2,1-3H3,(H2,10,15)
InChIKeyXWOBYCKZGDQLIV-UHFFFAOYSA-N
MW293.44 g/mol
LogP1.14
Rot. Bonds5

About 2-[(2-methyl-1,3-thiazol-5-yl)sulfonyl-propan-2-ylamino]ethanethioamide

2-[(2-methyl-1,3-thiazol-5-yl)sulfonyl-propan-2-ylamino]ethanethioamide (PubChem CID 103414692) has the molecular formula C9H15N3O2S3 and a molecular weight of 293.44 g/mol. Its IUPAC name is 2-[(2-methyl-1,3-thiazol-5-yl)sulfonyl-propan-2-ylamino]ethanethioamide.

Molecular Properties

Compound Name2-[(2-methyl-1,3-thiazol-5-yl)sulfonyl-propan-2-ylamino]ethanethioamide
PubChem CID103414692
Molecular FormulaC9H15N3O2S3
Molecular Weight293.44 g/mol
Exact Mass293.03
IUPAC Name2-[(2-methyl-1,3-thiazol-5-yl)sulfonyl-propan-2-ylamino]ethanethioamide
SMILESCc1ncc(S(=O)(=O)N(CC(N)=S)C(C)C)s1
InChIInChI=1S/C9H15N3O2S3/c1-6(2)12(5-8(10)15)17(13,14)9-4-11-7(3)16-9/h4,6H,5H2,1-3H3,(H2,10,15)
InChIKeyXWOBYCKZGDQLIV-UHFFFAOYSA-N
XLogP1.14
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.44
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[(2-methyl-1,3-thiazol-5-yl)sulfonyl-propan-2-ylamino]acetate
CID 113337732
N'-hydroxy-3-[2-methylpropyl-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]amino]propanimidamide
CID 103415668
ethyl 2-[methyl-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]amino]acetate
CID 103815343
2-methyl-2-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]butanethioamide
CID 103414629
methyl 2-[methyl-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]amino]acetate
CID 103853917
2-[4-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]piperazin-1-yl]butanethioamide
CID 103414679
2-[N-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]anilino]acetic acid
CID 104936964
N-(3-amino-2,2-dimethylpropyl)-N,2-dimethyl-1,3-thiazole-5-sulfonamide
CID 103951462
N-(3-hydroxyphenyl)-2-methyl-N-(2-methylpropyl)-1,3-thiazole-5-sulfonamide
CID 75388800
3-[(5-bromo-4-methylthiophen-2-yl)sulfonyl-propan-2-ylamino]propanethioamide
CID 79987516
N-cyclohexyl-N-(2-hydroxyethyl)-2-methyl-1,3-thiazole-5-sulfonamide
CID 103414836
2-chloro-N-(3-hydroxypropyl)-N-propan-2-yl-1,3-thiazole-5-sulfonamide
CID 61047095

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methyl-1,3-thiazol-5-yl)sulfonyl-propan-2-ylamino]ethanethioamide?
The IUPAC name of 2-[(2-methyl-1,3-thiazol-5-yl)sulfonyl-propan-2-ylamino]ethanethioamide (CID 103414692) is 2-[(2-methyl-1,3-thiazol-5-yl)sulfonyl-propan-2-ylamino]ethanethioamide.
What is the SMILES notation for 2-[(2-methyl-1,3-thiazol-5-yl)sulfonyl-propan-2-ylamino]ethanethioamide?
The canonical SMILES for 2-[(2-methyl-1,3-thiazol-5-yl)sulfonyl-propan-2-ylamino]ethanethioamide is Cc1ncc(S(=O)(=O)N(CC(N)=S)C(C)C)s1.
What is the InChIKey of 2-[(2-methyl-1,3-thiazol-5-yl)sulfonyl-propan-2-ylamino]ethanethioamide?
The InChIKey is XWOBYCKZGDQLIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2S3/c1-6(2)12(5-8(10)15)17(13,14)9-4-11-7(3)16-9/h4,6H,5H2,1-3H3,(H2,10,15).
What are the key properties of 2-[(2-methyl-1,3-thiazol-5-yl)sulfonyl-propan-2-ylamino]ethanethioamide?
2-[(2-methyl-1,3-thiazol-5-yl)sulfonyl-propan-2-ylamino]ethanethioamide has a molecular weight of 293.44 g/mol, XLogP of 1.14, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methyl-1,3-thiazol-5-yl)sulfonyl-propan-2-ylamino]ethanethioamide is sourced from PubChem (CID 103414692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).