(3-tert-butyl-1,3-thiazolidin-2-ylidene)cyanamide

C8H13N3S — CID 15163845

IUPAC(3-tert-butyl-1,3-thiazolidin-2-ylidene)cyanamide
SMILESCC(C)(C)N1CCS/C1=N\C#N
InChIInChI=1S/C8H13N3S/c1-8(2,3)11-4-5-12-7(11)10-6-9/h4-5H2,1-3H3/b10-7-
InChIKeyUZNWRGHHPUTWHZ-YFHOEESVSA-N
MW183.28 g/mol
LogP1.67
Rot. Bonds

About (3-tert-butyl-1,3-thiazolidin-2-ylidene)cyanamide

(3-tert-butyl-1,3-thiazolidin-2-ylidene)cyanamide (PubChem CID 15163845) has the molecular formula C8H13N3S and a molecular weight of 183.28 g/mol. Its IUPAC name is (3-tert-butyl-1,3-thiazolidin-2-ylidene)cyanamide.

Molecular Properties

Compound Name(3-tert-butyl-1,3-thiazolidin-2-ylidene)cyanamide
PubChem CID15163845
Molecular FormulaC8H13N3S
Molecular Weight183.28 g/mol
Exact Mass183.08
IUPAC Name(3-tert-butyl-1,3-thiazolidin-2-ylidene)cyanamide
SMILESCC(C)(C)N1CCS/C1=N\C#N
InChIInChI=1S/C8H13N3S/c1-8(2,3)11-4-5-12-7(11)10-6-9/h4-5H2,1-3H3/b10-7-
InChIKeyUZNWRGHHPUTWHZ-YFHOEESVSA-N
XLogP1.67
TPSA39.39 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.28
LogP ≤ 51.67
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'}

Analyze (3-tert-butyl-1,3-thiazolidin-2-ylidene)cyanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Cyanamide, (3-ethyl-2-thiazolidinylidene)-
CID 10888137
[3-(Propan-2-yl)-1,3-thiazolidin-2-ylidene]cyanamide
CID 14893646
N-methyl-3-propan-2-yl-1,3-thiazolidin-2-imine
CID 89097031
[3-(1-Methylcyclopropyl)-1,3-thiazolidin-2-ylidene]cyanamide
CID 91186785
N-(3-methylbutyl)-3-propan-2-yl-1,3-thiazolidin-2-imine
CID 132269575
N-(2-methylpropyl)-3-propan-2-yl-1,3-thiazolidin-2-imine
CID 132269580
N-butyl-3-propan-2-yl-1,3-thiazolidin-2-imine
CID 145121141
N-tert-butyl-N-methyl-4,5-dihydro-1,3-thiazol-2-amine
CID 168085851
3-ethyl-N,5-dimethyl-1,3-thiazolidin-2-imine
CID 12718850
N,5-dimethyl-3-propyl-1,3-thiazolidin-2-imine
CID 12718851
(3-Ethyl-5-methyl-1,3-thiazolidin-2-ylidene)-dimethylazanium
CID 12718863
(E)-N-tert-Butyl-1-(1,3-thiazolidin-3-yl)methanimine
CID 13283868

Frequently Asked Questions

What is the IUPAC name of (3-tert-butyl-1,3-thiazolidin-2-ylidene)cyanamide?
The IUPAC name of (3-tert-butyl-1,3-thiazolidin-2-ylidene)cyanamide (CID 15163845) is (3-tert-butyl-1,3-thiazolidin-2-ylidene)cyanamide.
What is the SMILES notation for (3-tert-butyl-1,3-thiazolidin-2-ylidene)cyanamide?
The canonical SMILES for (3-tert-butyl-1,3-thiazolidin-2-ylidene)cyanamide is CC(C)(C)N1CCS/C1=N\C#N.
What is the InChIKey of (3-tert-butyl-1,3-thiazolidin-2-ylidene)cyanamide?
The InChIKey is UZNWRGHHPUTWHZ-YFHOEESVSA-N. The full InChI is InChI=1S/C8H13N3S/c1-8(2,3)11-4-5-12-7(11)10-6-9/h4-5H2,1-3H3/b10-7-.
What are the key properties of (3-tert-butyl-1,3-thiazolidin-2-ylidene)cyanamide?
(3-tert-butyl-1,3-thiazolidin-2-ylidene)cyanamide has a molecular weight of 183.28 g/mol, XLogP of 1.67, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-tert-butyl-1,3-thiazolidin-2-ylidene)cyanamide is sourced from PubChem (CID 15163845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).