2-(oxan-4-yl)-N'-(thiophene-2-carbonyl)pyrimidine-5-carbohydrazide

C15H16N4O3S — CID 166264489

IUPAC2-(oxan-4-yl)-N'-(thiophene-2-carbonyl)pyrimidine-5-carbohydrazide
SMILESO=C(NNC(=O)c1cccs1)c1cnc(C2CCOCC2)nc1
InChIInChI=1S/C15H16N4O3S/c20-14(18-19-15(21)12-2-1-7-23-12)11-8-16-13(17-9-11)10-3-5-22-6-4-10/h1-2,7-10H,3-6H2,(H,18,20)(H,19,21)
InChIKeyKTRHQROERREYJE-UHFFFAOYSA-N
MW332.39 g/mol
LogP1.51
Rot. Bonds3

About 2-(oxan-4-yl)-N'-(thiophene-2-carbonyl)pyrimidine-5-carbohydrazide

2-(oxan-4-yl)-N'-(thiophene-2-carbonyl)pyrimidine-5-carbohydrazide (PubChem CID 166264489) has the molecular formula C15H16N4O3S and a molecular weight of 332.39 g/mol. Its IUPAC name is 2-(oxan-4-yl)-N'-(thiophene-2-carbonyl)pyrimidine-5-carbohydrazide.

Molecular Properties

Compound Name2-(oxan-4-yl)-N'-(thiophene-2-carbonyl)pyrimidine-5-carbohydrazide
PubChem CID166264489
Molecular FormulaC15H16N4O3S
Molecular Weight332.39 g/mol
Exact Mass332.09
IUPAC Name2-(oxan-4-yl)-N'-(thiophene-2-carbonyl)pyrimidine-5-carbohydrazide
SMILESO=C(NNC(=O)c1cccs1)c1cnc(C2CCOCC2)nc1
InChIInChI=1S/C15H16N4O3S/c20-14(18-19-15(21)12-2-1-7-23-12)11-8-16-13(17-9-11)10-3-5-22-6-4-10/h1-2,7-10H,3-6H2,(H,18,20)(H,19,21)
InChIKeyKTRHQROERREYJE-UHFFFAOYSA-N
XLogP1.51
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.39
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

6-chloro-N'-(thiophene-2-carbonyl)pyridine-3-carbohydrazide
CID 9479307
6-methoxy-N'-(thiophene-2-carbonyl)pyridine-3-carbohydrazide
CID 27018409
2-cyclopropyl-N-[2-(hydroxymethyl)-3-thiophen-2-ylpropyl]pyrimidine-5-carboxamide
CID 74246897
N-[1-(oxan-4-yl)pyrazol-4-yl]thiophene-2-carboxamide
CID 71810204
N-[4-[(thiophene-2-carbonylamino)carbamoyl]phenyl]thiophene-2-carboxamide
CID 1117998
N'-[4-[4-[(thiophene-2-carbonylamino)carbamoyl]phenoxy]benzoyl]thiophene-2-carbohydrazide
CID 2204112
2-morpholin-4-yl-N'-(thiophene-2-carbonyl)-1,3-thiazole-4-carbohydrazide
CID 18120603
N-[(thiophene-2-carbonylamino)carbamothioyl]cyclohexanecarboxamide
CID 4507493
1-N',4-N'-bis(thiophene-2-carbonyl)butanedihydrazide
CID 3715888
N'-(4-propan-2-ylbenzoyl)thiophene-2-carbohydrazide
CID 959994
N-[4-[(thiophene-2-carbonylamino)carbamoyl]phenyl]acetamide
CID 809220
N'-(4-methylsulfanylbenzoyl)thiophene-2-carbohydrazide
CID 8637772

Frequently Asked Questions

What is the IUPAC name of 2-(oxan-4-yl)-N'-(thiophene-2-carbonyl)pyrimidine-5-carbohydrazide?
The IUPAC name of 2-(oxan-4-yl)-N'-(thiophene-2-carbonyl)pyrimidine-5-carbohydrazide (CID 166264489) is 2-(oxan-4-yl)-N'-(thiophene-2-carbonyl)pyrimidine-5-carbohydrazide.
What is the SMILES notation for 2-(oxan-4-yl)-N'-(thiophene-2-carbonyl)pyrimidine-5-carbohydrazide?
The canonical SMILES for 2-(oxan-4-yl)-N'-(thiophene-2-carbonyl)pyrimidine-5-carbohydrazide is O=C(NNC(=O)c1cccs1)c1cnc(C2CCOCC2)nc1.
What is the InChIKey of 2-(oxan-4-yl)-N'-(thiophene-2-carbonyl)pyrimidine-5-carbohydrazide?
The InChIKey is KTRHQROERREYJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O3S/c20-14(18-19-15(21)12-2-1-7-23-12)11-8-16-13(17-9-11)10-3-5-22-6-4-10/h1-2,7-10H,3-6H2,(H,18,20)(H,19,21).
What are the key properties of 2-(oxan-4-yl)-N'-(thiophene-2-carbonyl)pyrimidine-5-carbohydrazide?
2-(oxan-4-yl)-N'-(thiophene-2-carbonyl)pyrimidine-5-carbohydrazide has a molecular weight of 332.39 g/mol, XLogP of 1.51, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxan-4-yl)-N'-(thiophene-2-carbonyl)pyrimidine-5-carbohydrazide is sourced from PubChem (CID 166264489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).