N'-benzoyl-6-methylimidazo[2,1-b][1,3]thiazole-5-carbohydrazide

C14H12N4O2S — CID 127038200

IUPACN'-benzoyl-6-methylimidazo[2,1-b][1,3]thiazole-5-carbohydrazide
SMILESCc1nc2sccn2c1C(=O)NNC(=O)c1ccccc1
InChIInChI=1S/C14H12N4O2S/c1-9-11(18-7-8-21-14(18)15-9)13(20)17-16-12(19)10-5-3-2-4-6-10/h2-8H,1H3,(H,16,19)(H,17,20)
InChIKeyQMJBAPVFHGCEFX-UHFFFAOYSA-N
MW300.34 g/mol
LogP1.78
Rot. Bonds2

About N'-benzoyl-6-methylimidazo[2,1-b][1,3]thiazole-5-carbohydrazide

N'-benzoyl-6-methylimidazo[2,1-b][1,3]thiazole-5-carbohydrazide (PubChem CID 127038200) has the molecular formula C14H12N4O2S and a molecular weight of 300.34 g/mol. Its IUPAC name is N'-benzoyl-6-methylimidazo[2,1-b][1,3]thiazole-5-carbohydrazide.

Molecular Properties

Compound NameN'-benzoyl-6-methylimidazo[2,1-b][1,3]thiazole-5-carbohydrazide
PubChem CID127038200
Molecular FormulaC14H12N4O2S
Molecular Weight300.34 g/mol
Exact Mass300.07
IUPAC NameN'-benzoyl-6-methylimidazo[2,1-b][1,3]thiazole-5-carbohydrazide
SMILESCc1nc2sccn2c1C(=O)NNC(=O)c1ccccc1
InChIInChI=1S/C14H12N4O2S/c1-9-11(18-7-8-21-14(18)15-9)13(20)17-16-12(19)10-5-3-2-4-6-10/h2-8H,1H3,(H,16,19)(H,17,20)
InChIKeyQMJBAPVFHGCEFX-UHFFFAOYSA-N
XLogP1.78
TPSA75.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.34
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

6-Phenylimidazo(2,1-b)(1,3)thiazole-5-carbaldehyde
CID 329948
N-[(E)-benzylideneamino]-6-methyl-imidazo[2,1-b]thiazole-5-carboxamide
CID 45921478
(2,5-Dimethylphenyl)-(6-methyl-5-imidazo[2,1-b]thiazolyl)methanone
CID 2998377
2-(Imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfanyl)-3-(4-methylphenyl)quinazolin-4-one
CID 2999809
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-(trifluoromethyl)benzamide
CID 3241089
Imidazo[2,1-b]thiazole-5-carboxamide, 6-methyl-N-phenyl-
CID 12318051
6-methyl-N'-(naphthalene-1-carbonyl)imidazo[2,1-b]thiazole-5-carbohydrazide
CID 127041664
6-methyl-N-[(E)-[4-(trifluoromethyl)phenyl]methylideneamino]imidazo[2,1-b][1,3]thiazole-5-carboxamide
CID 127041977
Egfr/her2-IN-8
CID 164887603
N-[(E)-(4-bromophenyl)methyleneamino]-6-methyl-imidazo[2,1-b]thiazole-5-carboxamide
CID 127041976
2-(Imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfanyl)-3-phenylquinazolin-4-one
CID 2999699
3-Methyl-6-phenylimidazo[2,1-b][1,3]thiazole-2-carboxamide
CID 3245664

Frequently Asked Questions

What is the IUPAC name of N'-benzoyl-6-methylimidazo[2,1-b][1,3]thiazole-5-carbohydrazide?
The IUPAC name of N'-benzoyl-6-methylimidazo[2,1-b][1,3]thiazole-5-carbohydrazide (CID 127038200) is N'-benzoyl-6-methylimidazo[2,1-b][1,3]thiazole-5-carbohydrazide.
What is the SMILES notation for N'-benzoyl-6-methylimidazo[2,1-b][1,3]thiazole-5-carbohydrazide?
The canonical SMILES for N'-benzoyl-6-methylimidazo[2,1-b][1,3]thiazole-5-carbohydrazide is Cc1nc2sccn2c1C(=O)NNC(=O)c1ccccc1.
What is the InChIKey of N'-benzoyl-6-methylimidazo[2,1-b][1,3]thiazole-5-carbohydrazide?
The InChIKey is QMJBAPVFHGCEFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O2S/c1-9-11(18-7-8-21-14(18)15-9)13(20)17-16-12(19)10-5-3-2-4-6-10/h2-8H,1H3,(H,16,19)(H,17,20).
What are the key properties of N'-benzoyl-6-methylimidazo[2,1-b][1,3]thiazole-5-carbohydrazide?
N'-benzoyl-6-methylimidazo[2,1-b][1,3]thiazole-5-carbohydrazide has a molecular weight of 300.34 g/mol, XLogP of 1.78, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzoyl-6-methylimidazo[2,1-b][1,3]thiazole-5-carbohydrazide is sourced from PubChem (CID 127038200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).