[3-(1-methylcyclopropyl)-1,3-thiazolidin-2-ylidene]cyanamide

C8H11N3S — CID 91186785

IUPAC[3-(1-methylcyclopropyl)-1,3-thiazolidin-2-ylidene]cyanamide
SMILESCC1(N2CCS/C2=N\C#N)CC1
InChIInChI=1S/C8H11N3S/c1-8(2-3-8)11-4-5-12-7(11)10-6-9/h2-5H2,1H3/b10-7-
InChIKeyKRTJHMBREIDUNY-YFHOEESVSA-N
MW181.26 g/mol
LogP1.42
Rot. Bonds1

About [3-(1-methylcyclopropyl)-1,3-thiazolidin-2-ylidene]cyanamide

[3-(1-methylcyclopropyl)-1,3-thiazolidin-2-ylidene]cyanamide (PubChem CID 91186785) has the molecular formula C8H11N3S and a molecular weight of 181.26 g/mol. Its IUPAC name is [3-(1-methylcyclopropyl)-1,3-thiazolidin-2-ylidene]cyanamide.

Molecular Properties

Compound Name[3-(1-methylcyclopropyl)-1,3-thiazolidin-2-ylidene]cyanamide
PubChem CID91186785
Molecular FormulaC8H11N3S
Molecular Weight181.26 g/mol
Exact Mass181.07
IUPAC Name[3-(1-methylcyclopropyl)-1,3-thiazolidin-2-ylidene]cyanamide
SMILESCC1(N2CCS/C2=N\C#N)CC1
InChIInChI=1S/C8H11N3S/c1-8(2-3-8)11-4-5-12-7(11)10-6-9/h2-5H2,1H3/b10-7-
InChIKeyKRTJHMBREIDUNY-YFHOEESVSA-N
XLogP1.42
TPSA39.39 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.26
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopropyl-3-methyl-1,3-thiazolidin-2-imine
CID 91159580
[3-(Propan-2-yl)-1,3-thiazolidin-2-ylidene]cyanamide
CID 14893646
(3-Tert-butyl-1,3-thiazolidin-2-ylidene)cyanamide
CID 15163845
N,5-dimethyl-3-propyl-1,3-thiazolidin-2-imine
CID 12718851
(3-Ethyl-5-methyl-1,3-thiazolidin-2-ylidene)-dimethylazanium
CID 12718863
(3-Propyl-1,3-thiazolidin-2-ylidene)cyanamide
CID 15163841
Dimethyl-(5-methyl-3-propyl-1,3-thiazolidin-2-ylidene)azanium
CID 23261377
N-tert-butyl-3-propan-2-yl-1,3-thiazolidin-2-imine
CID 134106735

Frequently Asked Questions

What is the IUPAC name of [3-(1-methylcyclopropyl)-1,3-thiazolidin-2-ylidene]cyanamide?
The IUPAC name of [3-(1-methylcyclopropyl)-1,3-thiazolidin-2-ylidene]cyanamide (CID 91186785) is [3-(1-methylcyclopropyl)-1,3-thiazolidin-2-ylidene]cyanamide.
What is the SMILES notation for [3-(1-methylcyclopropyl)-1,3-thiazolidin-2-ylidene]cyanamide?
The canonical SMILES for [3-(1-methylcyclopropyl)-1,3-thiazolidin-2-ylidene]cyanamide is CC1(N2CCS/C2=N\C#N)CC1.
What is the InChIKey of [3-(1-methylcyclopropyl)-1,3-thiazolidin-2-ylidene]cyanamide?
The InChIKey is KRTJHMBREIDUNY-YFHOEESVSA-N. The full InChI is InChI=1S/C8H11N3S/c1-8(2-3-8)11-4-5-12-7(11)10-6-9/h2-5H2,1H3/b10-7-.
What are the key properties of [3-(1-methylcyclopropyl)-1,3-thiazolidin-2-ylidene]cyanamide?
[3-(1-methylcyclopropyl)-1,3-thiazolidin-2-ylidene]cyanamide has a molecular weight of 181.26 g/mol, XLogP of 1.42, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1-methylcyclopropyl)-1,3-thiazolidin-2-ylidene]cyanamide is sourced from PubChem (CID 91186785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).