(6,6-dimethyl-5H-imidazo[2,1-b][1,3]thiazol-3-yl)methyl N,N'-di(cycloheptyl)carbamimidothioate

C23H38N4S2 — CID 25178353

IUPAC(6,6-dimethyl-5H-imidazo[2,1-b][1,3]thiazol-3-yl)methyl N,N'-di(cycloheptyl)carbamimidothioate
SMILESCC1(C)CN2C(CS/C(=N\C3CCCCCC3)NC3CCCCCC3)=CSC2=N1
InChIInChI=1S/C23H38N4S2/c1-23(2)17-27-20(16-29-22(27)26-23)15-28-21(24-18-11-7-3-4-8-12-18)25-19-13-9-5-6-10-14-19/h16,18-19H,3-15,17H2,1-2H3,(H,24,25)
InChIKeyDLOQISQLMPKGHJ-UHFFFAOYSA-N
MW434.72 g/mol
LogP6.15
Rot. Bonds4

About (6,6-dimethyl-5H-imidazo[2,1-b][1,3]thiazol-3-yl)methyl N,N'-di(cycloheptyl)carbamimidothioate

(6,6-dimethyl-5H-imidazo[2,1-b][1,3]thiazol-3-yl)methyl N,N'-di(cycloheptyl)carbamimidothioate (PubChem CID 25178353) has the molecular formula C23H38N4S2 and a molecular weight of 434.72 g/mol. Its IUPAC name is (6,6-dimethyl-5H-imidazo[2,1-b][1,3]thiazol-3-yl)methyl N,N'-di(cycloheptyl)carbamimidothioate.

Molecular Properties

Compound Name(6,6-dimethyl-5H-imidazo[2,1-b][1,3]thiazol-3-yl)methyl N,N'-di(cycloheptyl)carbamimidothioate
PubChem CID25178353
Molecular FormulaC23H38N4S2
Molecular Weight434.72 g/mol
Exact Mass434.25
IUPAC Name(6,6-dimethyl-5H-imidazo[2,1-b][1,3]thiazol-3-yl)methyl N,N'-di(cycloheptyl)carbamimidothioate
SMILESCC1(C)CN2C(CS/C(=N\C3CCCCCC3)NC3CCCCCC3)=CSC2=N1
InChIInChI=1S/C23H38N4S2/c1-23(2)17-27-20(16-29-22(27)26-23)15-28-21(24-18-11-7-3-4-8-12-18)25-19-13-9-5-6-10-14-19/h16,18-19H,3-15,17H2,1-2H3,(H,24,25)
InChIKeyDLOQISQLMPKGHJ-UHFFFAOYSA-N
XLogP6.15
TPSA39.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.72
LogP ≤ 56.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze (6,6-dimethyl-5H-imidazo[2,1-b][1,3]thiazol-3-yl)methyl N,N'-di(cycloheptyl)carbamimidothioate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (6,6-dimethyl-5H-imidazo[2,1-b][1,3]thiazol-3-yl)methyl N,N'-di(cycloheptyl)carbamimidothioate?
The IUPAC name of (6,6-dimethyl-5H-imidazo[2,1-b][1,3]thiazol-3-yl)methyl N,N'-di(cycloheptyl)carbamimidothioate (CID 25178353) is (6,6-dimethyl-5H-imidazo[2,1-b][1,3]thiazol-3-yl)methyl N,N'-di(cycloheptyl)carbamimidothioate.
What is the SMILES notation for (6,6-dimethyl-5H-imidazo[2,1-b][1,3]thiazol-3-yl)methyl N,N'-di(cycloheptyl)carbamimidothioate?
The canonical SMILES for (6,6-dimethyl-5H-imidazo[2,1-b][1,3]thiazol-3-yl)methyl N,N'-di(cycloheptyl)carbamimidothioate is CC1(C)CN2C(CS/C(=N\C3CCCCCC3)NC3CCCCCC3)=CSC2=N1.
What is the InChIKey of (6,6-dimethyl-5H-imidazo[2,1-b][1,3]thiazol-3-yl)methyl N,N'-di(cycloheptyl)carbamimidothioate?
The InChIKey is DLOQISQLMPKGHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H38N4S2/c1-23(2)17-27-20(16-29-22(27)26-23)15-28-21(24-18-11-7-3-4-8-12-18)25-19-13-9-5-6-10-14-19/h16,18-19H,3-15,17H2,1-2H3,(H,24,25).
What are the key properties of (6,6-dimethyl-5H-imidazo[2,1-b][1,3]thiazol-3-yl)methyl N,N'-di(cycloheptyl)carbamimidothioate?
(6,6-dimethyl-5H-imidazo[2,1-b][1,3]thiazol-3-yl)methyl N,N'-di(cycloheptyl)carbamimidothioate has a molecular weight of 434.72 g/mol, XLogP of 6.15, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6,6-dimethyl-5H-imidazo[2,1-b][1,3]thiazol-3-yl)methyl N,N'-di(cycloheptyl)carbamimidothioate is sourced from PubChem (CID 25178353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).