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

C10H15N3O2S3 — CID 103414621

IUPAC1-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]cyclopentane-1-carbothioamide
SMILESCc1ncc(S(=O)(=O)NC2(C(N)=S)CCCC2)s1
InChIInChI=1S/C10H15N3O2S3/c1-7-12-6-8(17-7)18(14,15)13-10(9(11)16)4-2-3-5-10/h6,13H,2-5H2,1H3,(H2,11,16)
InChIKeyXIBUFJAJIFFXDL-UHFFFAOYSA-N
MW305.45 g/mol
LogP1.33
Rot. Bonds4

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

1-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]cyclopentane-1-carbothioamide (PubChem CID 103414621) has the molecular formula C10H15N3O2S3 and a molecular weight of 305.45 g/mol. Its IUPAC name is 1-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]cyclopentane-1-carbothioamide.

Molecular Properties

Compound Name1-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]cyclopentane-1-carbothioamide
PubChem CID103414621
Molecular FormulaC10H15N3O2S3
Molecular Weight305.45 g/mol
Exact Mass305.03
IUPAC Name1-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]cyclopentane-1-carbothioamide
SMILESCc1ncc(S(=O)(=O)NC2(C(N)=S)CCCC2)s1
InChIInChI=1S/C10H15N3O2S3/c1-7-12-6-8(17-7)18(14,15)13-10(9(11)16)4-2-3-5-10/h6,13H,2-5H2,1H3,(H2,11,16)
InChIKeyXIBUFJAJIFFXDL-UHFFFAOYSA-N
XLogP1.33
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.45
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]cyclopentane-1-carbothioamide?
The IUPAC name of 1-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]cyclopentane-1-carbothioamide (CID 103414621) is 1-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]cyclopentane-1-carbothioamide.
What is the SMILES notation for 1-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]cyclopentane-1-carbothioamide?
The canonical SMILES for 1-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]cyclopentane-1-carbothioamide is Cc1ncc(S(=O)(=O)NC2(C(N)=S)CCCC2)s1.
What is the InChIKey of 1-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]cyclopentane-1-carbothioamide?
The InChIKey is XIBUFJAJIFFXDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2S3/c1-7-12-6-8(17-7)18(14,15)13-10(9(11)16)4-2-3-5-10/h6,13H,2-5H2,1H3,(H2,11,16).
What are the key properties of 1-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]cyclopentane-1-carbothioamide?
1-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]cyclopentane-1-carbothioamide has a molecular weight of 305.45 g/mol, XLogP of 1.33, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]cyclopentane-1-carbothioamide is sourced from PubChem (CID 103414621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).