N'-(4-phenyl-1,3-thiazol-2-yl)thiophene-2-carbohydrazide

C14H11N3OS2 — CID 2817110

IUPACN'-(4-phenyl-1,3-thiazol-2-yl)thiophene-2-carbohydrazide
SMILESO=C(NNc1nc(-c2ccccc2)cs1)c1cccs1
InChIInChI=1S/C14H11N3OS2/c18-13(12-7-4-8-19-12)16-17-14-15-11(9-20-14)10-5-2-1-3-6-10/h1-9H,(H,15,17)(H,16,18)
InChIKeyYPXGBKCLVDUUCX-UHFFFAOYSA-N
MW301.40 g/mol
LogP3.63
Rot. Bonds4

About N'-(4-phenyl-1,3-thiazol-2-yl)thiophene-2-carbohydrazide

N'-(4-phenyl-1,3-thiazol-2-yl)thiophene-2-carbohydrazide (PubChem CID 2817110) has the molecular formula C14H11N3OS2 and a molecular weight of 301.40 g/mol. Its IUPAC name is N'-(4-phenyl-1,3-thiazol-2-yl)thiophene-2-carbohydrazide.

Molecular Properties

Compound NameN'-(4-phenyl-1,3-thiazol-2-yl)thiophene-2-carbohydrazide
PubChem CID2817110
Molecular FormulaC14H11N3OS2
Molecular Weight301.40 g/mol
Exact Mass301.03
IUPAC NameN'-(4-phenyl-1,3-thiazol-2-yl)thiophene-2-carbohydrazide
SMILESO=C(NNc1nc(-c2ccccc2)cs1)c1cccs1
InChIInChI=1S/C14H11N3OS2/c18-13(12-7-4-8-19-12)16-17-14-15-11(9-20-14)10-5-2-1-3-6-10/h1-9H,(H,15,17)(H,16,18)
InChIKeyYPXGBKCLVDUUCX-UHFFFAOYSA-N
XLogP3.63
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.40
LogP ≤ 53.63
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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Frequently Asked Questions

What is the IUPAC name of N'-(4-phenyl-1,3-thiazol-2-yl)thiophene-2-carbohydrazide?
The IUPAC name of N'-(4-phenyl-1,3-thiazol-2-yl)thiophene-2-carbohydrazide (CID 2817110) is N'-(4-phenyl-1,3-thiazol-2-yl)thiophene-2-carbohydrazide.
What is the SMILES notation for N'-(4-phenyl-1,3-thiazol-2-yl)thiophene-2-carbohydrazide?
The canonical SMILES for N'-(4-phenyl-1,3-thiazol-2-yl)thiophene-2-carbohydrazide is O=C(NNc1nc(-c2ccccc2)cs1)c1cccs1.
What is the InChIKey of N'-(4-phenyl-1,3-thiazol-2-yl)thiophene-2-carbohydrazide?
The InChIKey is YPXGBKCLVDUUCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3OS2/c18-13(12-7-4-8-19-12)16-17-14-15-11(9-20-14)10-5-2-1-3-6-10/h1-9H,(H,15,17)(H,16,18).
What are the key properties of N'-(4-phenyl-1,3-thiazol-2-yl)thiophene-2-carbohydrazide?
N'-(4-phenyl-1,3-thiazol-2-yl)thiophene-2-carbohydrazide has a molecular weight of 301.40 g/mol, XLogP of 3.63, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-phenyl-1,3-thiazol-2-yl)thiophene-2-carbohydrazide is sourced from PubChem (CID 2817110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).