4-[(2-methylbenzimidazol-1-yl)methyl]-1,3-thiazole-2-carbohydrazide

C13H13N5OS — CID 63577924

IUPAC4-[(2-methylbenzimidazol-1-yl)methyl]-1,3-thiazole-2-carbohydrazide
SMILESCc1nc2ccccc2n1Cc1csc(C(=O)NN)n1
InChIInChI=1S/C13H13N5OS/c1-8-15-10-4-2-3-5-11(10)18(8)6-9-7-20-13(16-9)12(19)17-14/h2-5,7H,6,14H2,1H3,(H,17,19)
InChIKeyPTGMFHYOORMDQG-UHFFFAOYSA-N
MW287.35 g/mol
LogP1.45
Rot. Bonds3

About 4-[(2-methylbenzimidazol-1-yl)methyl]-1,3-thiazole-2-carbohydrazide

4-[(2-methylbenzimidazol-1-yl)methyl]-1,3-thiazole-2-carbohydrazide (PubChem CID 63577924) has the molecular formula C13H13N5OS and a molecular weight of 287.35 g/mol. Its IUPAC name is 4-[(2-methylbenzimidazol-1-yl)methyl]-1,3-thiazole-2-carbohydrazide.

Molecular Properties

Compound Name4-[(2-methylbenzimidazol-1-yl)methyl]-1,3-thiazole-2-carbohydrazide
PubChem CID63577924
Molecular FormulaC13H13N5OS
Molecular Weight287.35 g/mol
Exact Mass287.08
IUPAC Name4-[(2-methylbenzimidazol-1-yl)methyl]-1,3-thiazole-2-carbohydrazide
SMILESCc1nc2ccccc2n1Cc1csc(C(=O)NN)n1
InChIInChI=1S/C13H13N5OS/c1-8-15-10-4-2-3-5-11(10)18(8)6-9-7-20-13(16-9)12(19)17-14/h2-5,7H,6,14H2,1H3,(H,17,19)
InChIKeyPTGMFHYOORMDQG-UHFFFAOYSA-N
XLogP1.45
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.35
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-[(3-methylindol-1-yl)methyl]-1,3-thiazole-2-carbohydrazide
CID 63577602
3-(2-methylbenzimidazol-1-yl)propanehydrazide
CID 4738084
5-[(2-methylbenzimidazol-1-yl)methyl]-1,3-thiazole
CID 112644464
2-methyl-1-[[2-[(2-methylbenzimidazol-1-yl)methyl]phenyl]methyl]benzimidazole
CID 154733183
2-(2-methylbenzimidazol-1-yl)acetic acid
CID 75530217
3-(2-methylbenzimidazol-1-yl)-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]propanamide
CID 131925245
4-[(2-methylbenzimidazol-1-yl)methyl]benzoic acid
CID 6498814
hydrazinyl 3-(2-methylbenzimidazol-1-yl)propanoate
CID 66337324
4-[(2,6-dimethylphenoxy)methyl]-1,3-thiazole-2-carbohydrazide
CID 55213006
2-methyl-5-[(2-methylbenzimidazol-1-yl)methyl]-1,3-thiazole
CID 78971489
bis(N-[[4-[(6-chloro-2-methylbenzimidazol-1-yl)methyl]-1,3-thiazol-2-yl]methyl]benzotriazole-1-carboxamide);methane
CID 160843462
2-(2-methylbenzimidazol-1-yl)-N-[(1R)-1-thiophen-2-ylethyl]acetamide
CID 7755575

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methylbenzimidazol-1-yl)methyl]-1,3-thiazole-2-carbohydrazide?
The IUPAC name of 4-[(2-methylbenzimidazol-1-yl)methyl]-1,3-thiazole-2-carbohydrazide (CID 63577924) is 4-[(2-methylbenzimidazol-1-yl)methyl]-1,3-thiazole-2-carbohydrazide.
What is the SMILES notation for 4-[(2-methylbenzimidazol-1-yl)methyl]-1,3-thiazole-2-carbohydrazide?
The canonical SMILES for 4-[(2-methylbenzimidazol-1-yl)methyl]-1,3-thiazole-2-carbohydrazide is Cc1nc2ccccc2n1Cc1csc(C(=O)NN)n1.
What is the InChIKey of 4-[(2-methylbenzimidazol-1-yl)methyl]-1,3-thiazole-2-carbohydrazide?
The InChIKey is PTGMFHYOORMDQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5OS/c1-8-15-10-4-2-3-5-11(10)18(8)6-9-7-20-13(16-9)12(19)17-14/h2-5,7H,6,14H2,1H3,(H,17,19).
What are the key properties of 4-[(2-methylbenzimidazol-1-yl)methyl]-1,3-thiazole-2-carbohydrazide?
4-[(2-methylbenzimidazol-1-yl)methyl]-1,3-thiazole-2-carbohydrazide has a molecular weight of 287.35 g/mol, XLogP of 1.45, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methylbenzimidazol-1-yl)methyl]-1,3-thiazole-2-carbohydrazide is sourced from PubChem (CID 63577924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).