N'-carbamimidoyl-6-(3,4-dihydroxyphenyl)imidazo[2,1-b][1,3]thiazole-5-carboximidamide

C13H12N6O2S — CID 135585390

IUPACN'-carbamimidoyl-6-(3,4-dihydroxyphenyl)imidazo[2,1-b][1,3]thiazole-5-carboximidamide
SMILES[H]/N=C(N)/N=C(\N)c1c(-c2ccc(O)c(O)c2)nc2sccn12
InChIInChI=1S/C13H12N6O2S/c14-11(18-12(15)16)10-9(17-13-19(10)3-4-22-13)6-1-2-7(20)8(21)5-6/h1-5,20-21H,(H5,14,15,16,18)
InChIKeyGTMMDDJQVFXZSM-UHFFFAOYSA-N
MW316.35 g/mol
LogP1.07
Rot. Bonds2

About N'-carbamimidoyl-6-(3,4-dihydroxyphenyl)imidazo[2,1-b][1,3]thiazole-5-carboximidamide

N'-carbamimidoyl-6-(3,4-dihydroxyphenyl)imidazo[2,1-b][1,3]thiazole-5-carboximidamide (PubChem CID 135585390) has the molecular formula C13H12N6O2S and a molecular weight of 316.35 g/mol. Its IUPAC name is N'-carbamimidoyl-6-(3,4-dihydroxyphenyl)imidazo[2,1-b][1,3]thiazole-5-carboximidamide.

Molecular Properties

Compound NameN'-carbamimidoyl-6-(3,4-dihydroxyphenyl)imidazo[2,1-b][1,3]thiazole-5-carboximidamide
PubChem CID135585390
Molecular FormulaC13H12N6O2S
Molecular Weight316.35 g/mol
Exact Mass316.07
IUPAC NameN'-carbamimidoyl-6-(3,4-dihydroxyphenyl)imidazo[2,1-b][1,3]thiazole-5-carboximidamide
SMILES[H]/N=C(N)/N=C(\N)c1c(-c2ccc(O)c(O)c2)nc2sccn12
InChIInChI=1S/C13H12N6O2S/c14-11(18-12(15)16)10-9(17-13-19(10)3-4-22-13)6-1-2-7(20)8(21)5-6/h1-5,20-21H,(H5,14,15,16,18)
InChIKeyGTMMDDJQVFXZSM-UHFFFAOYSA-N
XLogP1.07
TPSA146.01 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.35
LogP ≤ 51.07
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze N'-carbamimidoyl-6-(3,4-dihydroxyphenyl)imidazo[2,1-b][1,3]thiazole-5-carboximidamide 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

N'-carbamimidoyl-6-(2,5-dihydroxyphenyl)imidazo[2,1-b][1,3]thiazole-5-carboximidamide;hydrochloride
CID 135436458
ethyl 6-phenylimidazo[2,1-b][1,3]thiazole-5-carboxylate
CID 10802132
8-(6-phenylimidazo[2,1-b][1,3]thiazole-5-carbonyl)oxyoctyl 6-phenylimidazo[2,1-b][1,3]thiazole-5-carboxylate
CID 11592429
[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-[1-(4-chlorophenyl)triazol-4-yl]methanone
CID 155523851
2-[(E)-[6-(2,5-dihydroxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;tetrahydrochloride
CID 135519426
5-bromo-6-(3,4-dichlorophenyl)imidazo[2,1-b][1,3]thiazole
CID 134114479
2-[(E)-[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride
CID 45262277
6-(2,5-dihydroxyphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 11436870
4-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-2,4-dioxobutanoic acid
CID 20500975
6-phenyl-N-phenylmethoxyimidazo[2,1-b][1,3]thiazole-5-carboxamide
CID 155280683
2-[(E)-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]guanidine
CID 5468547
CID 89392602
CID 89392602

Frequently Asked Questions

What is the IUPAC name of N'-carbamimidoyl-6-(3,4-dihydroxyphenyl)imidazo[2,1-b][1,3]thiazole-5-carboximidamide?
The IUPAC name of N'-carbamimidoyl-6-(3,4-dihydroxyphenyl)imidazo[2,1-b][1,3]thiazole-5-carboximidamide (CID 135585390) is N'-carbamimidoyl-6-(3,4-dihydroxyphenyl)imidazo[2,1-b][1,3]thiazole-5-carboximidamide.
What is the SMILES notation for N'-carbamimidoyl-6-(3,4-dihydroxyphenyl)imidazo[2,1-b][1,3]thiazole-5-carboximidamide?
The canonical SMILES for N'-carbamimidoyl-6-(3,4-dihydroxyphenyl)imidazo[2,1-b][1,3]thiazole-5-carboximidamide is [H]/N=C(N)/N=C(\N)c1c(-c2ccc(O)c(O)c2)nc2sccn12.
What is the InChIKey of N'-carbamimidoyl-6-(3,4-dihydroxyphenyl)imidazo[2,1-b][1,3]thiazole-5-carboximidamide?
The InChIKey is GTMMDDJQVFXZSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N6O2S/c14-11(18-12(15)16)10-9(17-13-19(10)3-4-22-13)6-1-2-7(20)8(21)5-6/h1-5,20-21H,(H5,14,15,16,18).
What are the key properties of N'-carbamimidoyl-6-(3,4-dihydroxyphenyl)imidazo[2,1-b][1,3]thiazole-5-carboximidamide?
N'-carbamimidoyl-6-(3,4-dihydroxyphenyl)imidazo[2,1-b][1,3]thiazole-5-carboximidamide has a molecular weight of 316.35 g/mol, XLogP of 1.07, 2 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-carbamimidoyl-6-(3,4-dihydroxyphenyl)imidazo[2,1-b][1,3]thiazole-5-carboximidamide is sourced from PubChem (CID 135585390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).