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

C14H14N4OS — CID 63577602

IUPAC4-[(3-methylindol-1-yl)methyl]-1,3-thiazole-2-carbohydrazide
SMILESCc1cn(Cc2csc(C(=O)NN)n2)c2ccccc12
InChIInChI=1S/C14H14N4OS/c1-9-6-18(12-5-3-2-4-11(9)12)7-10-8-20-14(16-10)13(19)17-15/h2-6,8H,7,15H2,1H3,(H,17,19)
InChIKeyGWYOOQHXNYELTD-UHFFFAOYSA-N
MW286.36 g/mol
LogP2.06
Rot. Bonds3

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

4-[(3-methylindol-1-yl)methyl]-1,3-thiazole-2-carbohydrazide (PubChem CID 63577602) has the molecular formula C14H14N4OS and a molecular weight of 286.36 g/mol. Its IUPAC name is 4-[(3-methylindol-1-yl)methyl]-1,3-thiazole-2-carbohydrazide.

Molecular Properties

Compound Name4-[(3-methylindol-1-yl)methyl]-1,3-thiazole-2-carbohydrazide
PubChem CID63577602
Molecular FormulaC14H14N4OS
Molecular Weight286.36 g/mol
Exact Mass286.09
IUPAC Name4-[(3-methylindol-1-yl)methyl]-1,3-thiazole-2-carbohydrazide
SMILESCc1cn(Cc2csc(C(=O)NN)n2)c2ccccc12
InChIInChI=1S/C14H14N4OS/c1-9-6-18(12-5-3-2-4-11(9)12)7-10-8-20-14(16-10)13(19)17-15/h2-6,8H,7,15H2,1H3,(H,17,19)
InChIKeyGWYOOQHXNYELTD-UHFFFAOYSA-N
XLogP2.06
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-[(2-methylbenzimidazol-1-yl)methyl]-1,3-thiazole-2-carbohydrazide
CID 63577924
4-[(2,6-dimethylphenoxy)methyl]-1,3-thiazole-2-carbohydrazide
CID 55213006
5-[(3-methylindol-1-yl)methyl]furan-2-carbohydrazide
CID 63577239
4-[(6,6-dimethyl-2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)methyl]-1,3-thiazole-2-carbohydrazide
CID 64829448
4-[(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)methyl]-1,3-thiazole-2-carbohydrazide
CID 55213098
4-[(2,5-dioxopyrrolidin-1-yl)methyl]-1,3-thiazole-2-carbohydrazide
CID 63572048
6-[(3-bromoindol-1-yl)methyl]pyridine-2-carbohydrazide
CID 106909481
1-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]indol-3-yl]propan-2-amine
CID 66404653
4-[(4-hydroxy-4-methylpiperidin-1-yl)methyl]-1,3-thiazole-2-carbohydrazide
CID 81116115
methyl 4-[(3-methylindol-1-yl)methyl]benzoate
CID 43316679
4-[(4,4-diethylpiperidin-1-yl)methyl]-1,3-thiazole-2-carbohydrazide
CID 63583716
4-[(4-methyl-2,5-dioxopiperazin-1-yl)methyl]-1,3-thiazole-2-carbohydrazide
CID 79942412

Frequently Asked Questions

What is the IUPAC name of 4-[(3-methylindol-1-yl)methyl]-1,3-thiazole-2-carbohydrazide?
The IUPAC name of 4-[(3-methylindol-1-yl)methyl]-1,3-thiazole-2-carbohydrazide (CID 63577602) is 4-[(3-methylindol-1-yl)methyl]-1,3-thiazole-2-carbohydrazide.
What is the SMILES notation for 4-[(3-methylindol-1-yl)methyl]-1,3-thiazole-2-carbohydrazide?
The canonical SMILES for 4-[(3-methylindol-1-yl)methyl]-1,3-thiazole-2-carbohydrazide is Cc1cn(Cc2csc(C(=O)NN)n2)c2ccccc12.
What is the InChIKey of 4-[(3-methylindol-1-yl)methyl]-1,3-thiazole-2-carbohydrazide?
The InChIKey is GWYOOQHXNYELTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4OS/c1-9-6-18(12-5-3-2-4-11(9)12)7-10-8-20-14(16-10)13(19)17-15/h2-6,8H,7,15H2,1H3,(H,17,19).
What are the key properties of 4-[(3-methylindol-1-yl)methyl]-1,3-thiazole-2-carbohydrazide?
4-[(3-methylindol-1-yl)methyl]-1,3-thiazole-2-carbohydrazide has a molecular weight of 286.36 g/mol, XLogP of 2.06, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-methylindol-1-yl)methyl]-1,3-thiazole-2-carbohydrazide is sourced from PubChem (CID 63577602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).