[1-[(2-sulfanylidene-3H-1,3-thiazol-5-yl)methyl]piperidin-2-ylidene]cyanamide

C10H12N4S2 — CID 20643141

IUPAC[1-[(2-sulfanylidene-3H-1,3-thiazol-5-yl)methyl]piperidin-2-ylidene]cyanamide
SMILESN#C/N=C1\CCCCN1Cc1c[nH]c(=S)s1
InChIInChI=1S/C10H12N4S2/c11-7-13-9-3-1-2-4-14(9)6-8-5-12-10(15)16-8/h5H,1-4,6H2,(H,12,15)/b13-9+
InChIKeyXEEBFUHXJIVUAU-UKTHLTGXSA-N
MW252.37 g/mol
LogP2.67
Rot. Bonds2

About [1-[(2-sulfanylidene-3H-1,3-thiazol-5-yl)methyl]piperidin-2-ylidene]cyanamide

[1-[(2-sulfanylidene-3H-1,3-thiazol-5-yl)methyl]piperidin-2-ylidene]cyanamide (PubChem CID 20643141) has the molecular formula C10H12N4S2 and a molecular weight of 252.37 g/mol. Its IUPAC name is [1-[(2-sulfanylidene-3H-1,3-thiazol-5-yl)methyl]piperidin-2-ylidene]cyanamide.

Molecular Properties

Compound Name[1-[(2-sulfanylidene-3H-1,3-thiazol-5-yl)methyl]piperidin-2-ylidene]cyanamide
PubChem CID20643141
Molecular FormulaC10H12N4S2
Molecular Weight252.37 g/mol
Exact Mass252.05
IUPAC Name[1-[(2-sulfanylidene-3H-1,3-thiazol-5-yl)methyl]piperidin-2-ylidene]cyanamide
SMILESN#C/N=C1\CCCCN1Cc1c[nH]c(=S)s1
InChIInChI=1S/C10H12N4S2/c11-7-13-9-3-1-2-4-14(9)6-8-5-12-10(15)16-8/h5H,1-4,6H2,(H,12,15)/b13-9+
InChIKeyXEEBFUHXJIVUAU-UKTHLTGXSA-N
XLogP2.67
TPSA55.18 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.37
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [1-[(2-sulfanylidene-3H-1,3-thiazol-5-yl)methyl]piperidin-2-ylidene]cyanamide?
The IUPAC name of [1-[(2-sulfanylidene-3H-1,3-thiazol-5-yl)methyl]piperidin-2-ylidene]cyanamide (CID 20643141) is [1-[(2-sulfanylidene-3H-1,3-thiazol-5-yl)methyl]piperidin-2-ylidene]cyanamide.
What is the SMILES notation for [1-[(2-sulfanylidene-3H-1,3-thiazol-5-yl)methyl]piperidin-2-ylidene]cyanamide?
The canonical SMILES for [1-[(2-sulfanylidene-3H-1,3-thiazol-5-yl)methyl]piperidin-2-ylidene]cyanamide is N#C/N=C1\CCCCN1Cc1c[nH]c(=S)s1.
What is the InChIKey of [1-[(2-sulfanylidene-3H-1,3-thiazol-5-yl)methyl]piperidin-2-ylidene]cyanamide?
The InChIKey is XEEBFUHXJIVUAU-UKTHLTGXSA-N. The full InChI is InChI=1S/C10H12N4S2/c11-7-13-9-3-1-2-4-14(9)6-8-5-12-10(15)16-8/h5H,1-4,6H2,(H,12,15)/b13-9+.
What are the key properties of [1-[(2-sulfanylidene-3H-1,3-thiazol-5-yl)methyl]piperidin-2-ylidene]cyanamide?
[1-[(2-sulfanylidene-3H-1,3-thiazol-5-yl)methyl]piperidin-2-ylidene]cyanamide has a molecular weight of 252.37 g/mol, XLogP of 2.67, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2-sulfanylidene-3H-1,3-thiazol-5-yl)methyl]piperidin-2-ylidene]cyanamide is sourced from PubChem (CID 20643141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).