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

C13H13ClN6O2S — CID 135436458

IUPACN'-carbamimidoyl-6-(2,5-dihydroxyphenyl)imidazo[2,1-b][1,3]thiazole-5-carboximidamide;hydrochloride
SMILESCl.[H]/N=C(N)/N=C(\N)c1c(-c2cc(O)ccc2O)nc2sccn12
InChIInChI=1S/C13H12N6O2S.ClH/c14-11(18-12(15)16)10-9(17-13-19(10)3-4-22-13)7-5-6(20)1-2-8(7)21;/h1-5,20-21H,(H5,14,15,16,18);1H
InChIKeyLHDAIQUFZHUUII-UHFFFAOYSA-N
MW352.81 g/mol
LogP1.49
Rot. Bonds2

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

N'-carbamimidoyl-6-(2,5-dihydroxyphenyl)imidazo[2,1-b][1,3]thiazole-5-carboximidamide;hydrochloride (PubChem CID 135436458) has the molecular formula C13H13ClN6O2S and a molecular weight of 352.81 g/mol. Its IUPAC name is N'-carbamimidoyl-6-(2,5-dihydroxyphenyl)imidazo[2,1-b][1,3]thiazole-5-carboximidamide;hydrochloride.

Molecular Properties

Compound NameN'-carbamimidoyl-6-(2,5-dihydroxyphenyl)imidazo[2,1-b][1,3]thiazole-5-carboximidamide;hydrochloride
PubChem CID135436458
Molecular FormulaC13H13ClN6O2S
Molecular Weight352.81 g/mol
Exact Mass352.05
IUPAC NameN'-carbamimidoyl-6-(2,5-dihydroxyphenyl)imidazo[2,1-b][1,3]thiazole-5-carboximidamide;hydrochloride
SMILESCl.[H]/N=C(N)/N=C(\N)c1c(-c2cc(O)ccc2O)nc2sccn12
InChIInChI=1S/C13H12N6O2S.ClH/c14-11(18-12(15)16)10-9(17-13-19(10)3-4-22-13)7-5-6(20)1-2-8(7)21;/h1-5,20-21H,(H5,14,15,16,18);1H
InChIKeyLHDAIQUFZHUUII-UHFFFAOYSA-N
XLogP1.49
TPSA146.01 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.81
LogP ≤ 51.49
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N'-carbamimidoyl-6-(3,4-dihydroxyphenyl)imidazo[2,1-b][1,3]thiazole-5-carboximidamide
CID 135585390
2-[(E)-[6-(2,5-dihydroxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;tetrahydrochloride
CID 135519426
6-(2,5-dihydroxyphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 11436870
2-(2-amino-1,3-thiazol-4-yl)benzene-1,4-diol
CID 13437302
1-[[3-[2-(diaminomethylidene)hydrazinyl]-14-thia-8,11,16-triazatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2,4,6,8,12,15-heptaen-6-yl]imino]guanidine
CID 11383018
2-[(E)-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]guanidine;hydrochloride
CID 5468546
2-[(E)-[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride
CID 45262277
8-(6-phenylimidazo[2,1-b][1,3]thiazole-5-carbonyl)oxyoctyl 6-phenylimidazo[2,1-b][1,3]thiazole-5-carboxylate
CID 11592429
ethyl 6-phenylimidazo[2,1-b][1,3]thiazole-5-carboxylate
CID 10802132
2-[5-(cyclohexylamino)imidazo[2,1-b][1,3]thiazol-6-yl]phenol
CID 154721645
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

Frequently Asked Questions

What is the IUPAC name of N'-carbamimidoyl-6-(2,5-dihydroxyphenyl)imidazo[2,1-b][1,3]thiazole-5-carboximidamide;hydrochloride?
The IUPAC name of N'-carbamimidoyl-6-(2,5-dihydroxyphenyl)imidazo[2,1-b][1,3]thiazole-5-carboximidamide;hydrochloride (CID 135436458) is N'-carbamimidoyl-6-(2,5-dihydroxyphenyl)imidazo[2,1-b][1,3]thiazole-5-carboximidamide;hydrochloride.
What is the SMILES notation for N'-carbamimidoyl-6-(2,5-dihydroxyphenyl)imidazo[2,1-b][1,3]thiazole-5-carboximidamide;hydrochloride?
The canonical SMILES for N'-carbamimidoyl-6-(2,5-dihydroxyphenyl)imidazo[2,1-b][1,3]thiazole-5-carboximidamide;hydrochloride is Cl.[H]/N=C(N)/N=C(\N)c1c(-c2cc(O)ccc2O)nc2sccn12.
What is the InChIKey of N'-carbamimidoyl-6-(2,5-dihydroxyphenyl)imidazo[2,1-b][1,3]thiazole-5-carboximidamide;hydrochloride?
The InChIKey is LHDAIQUFZHUUII-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N6O2S.ClH/c14-11(18-12(15)16)10-9(17-13-19(10)3-4-22-13)7-5-6(20)1-2-8(7)21;/h1-5,20-21H,(H5,14,15,16,18);1H.
What are the key properties of N'-carbamimidoyl-6-(2,5-dihydroxyphenyl)imidazo[2,1-b][1,3]thiazole-5-carboximidamide;hydrochloride?
N'-carbamimidoyl-6-(2,5-dihydroxyphenyl)imidazo[2,1-b][1,3]thiazole-5-carboximidamide;hydrochloride has a molecular weight of 352.81 g/mol, XLogP of 1.49, 2 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-carbamimidoyl-6-(2,5-dihydroxyphenyl)imidazo[2,1-b][1,3]thiazole-5-carboximidamide;hydrochloride is sourced from PubChem (CID 135436458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).