4-hydrazinyl-2-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]benzamide

C14H19N5OS — CID 106262310

IUPAC4-hydrazinyl-2-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]benzamide
SMILESCc1cc(NN)ccc1C(=O)Nc1nnc(CC(C)C)s1
InChIInChI=1S/C14H19N5OS/c1-8(2)6-12-18-19-14(21-12)16-13(20)11-5-4-10(17-15)7-9(11)3/h4-5,7-8,17H,6,15H2,1-3H3,(H,16,19,20)
InChIKeyHMIKWMZJMFXNRT-UHFFFAOYSA-N
MW305.41 g/mol
LogP2.58
Rot. Bonds5

About 4-hydrazinyl-2-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]benzamide

4-hydrazinyl-2-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]benzamide (PubChem CID 106262310) has the molecular formula C14H19N5OS and a molecular weight of 305.41 g/mol. Its IUPAC name is 4-hydrazinyl-2-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]benzamide.

Molecular Properties

Compound Name4-hydrazinyl-2-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]benzamide
PubChem CID106262310
Molecular FormulaC14H19N5OS
Molecular Weight305.41 g/mol
Exact Mass305.13
IUPAC Name4-hydrazinyl-2-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]benzamide
SMILESCc1cc(NN)ccc1C(=O)Nc1nnc(CC(C)C)s1
InChIInChI=1S/C14H19N5OS/c1-8(2)6-12-18-19-14(21-12)16-13(20)11-5-4-10(17-15)7-9(11)3/h4-5,7-8,17H,6,15H2,1-3H3,(H,16,19,20)
InChIKeyHMIKWMZJMFXNRT-UHFFFAOYSA-N
XLogP2.58
TPSA92.93 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.41
LogP ≤ 52.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2,5-dimethyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]thiophene-3-carboxamide
CID 24647679
2,3-dihydroxy-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 104931749
4-fluoro-2-hydroxy-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 103829678
3-hydroxy-2-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 103871250
3-methoxy-4-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 51228862
2,4-dimethyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
CID 78792564
4-chloro-6-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]pyridine-3-carboxamide
CID 103803457
4-ethoxy-3-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 86937929
2-chloro-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-5-methylsulfanylbenzamide
CID 51148567
5-amino-2-chloro-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]pyridine-3-carboxamide
CID 106259566
3-acetamido-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 51148570
2,3-difluoro-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]pyridine-4-carboxamide
CID 102709910

Frequently Asked Questions

What is the IUPAC name of 4-hydrazinyl-2-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]benzamide?
The IUPAC name of 4-hydrazinyl-2-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]benzamide (CID 106262310) is 4-hydrazinyl-2-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]benzamide.
What is the SMILES notation for 4-hydrazinyl-2-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]benzamide?
The canonical SMILES for 4-hydrazinyl-2-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]benzamide is Cc1cc(NN)ccc1C(=O)Nc1nnc(CC(C)C)s1.
What is the InChIKey of 4-hydrazinyl-2-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]benzamide?
The InChIKey is HMIKWMZJMFXNRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5OS/c1-8(2)6-12-18-19-14(21-12)16-13(20)11-5-4-10(17-15)7-9(11)3/h4-5,7-8,17H,6,15H2,1-3H3,(H,16,19,20).
What are the key properties of 4-hydrazinyl-2-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]benzamide?
4-hydrazinyl-2-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]benzamide has a molecular weight of 305.41 g/mol, XLogP of 2.58, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydrazinyl-2-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]benzamide is sourced from PubChem (CID 106262310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).