4-nitro-N'-(2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetyl)benzohydrazide

C15H11N5O4S2 — CID 46661780

IUPAC4-nitro-N'-(2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetyl)benzohydrazide
SMILESO=C(CSc1ncnc2ccsc12)NNC(=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H11N5O4S2/c21-12(7-26-15-13-11(5-6-25-13)16-8-17-15)18-19-14(22)9-1-3-10(4-2-9)20(23)24/h1-6,8H,7H2,(H,18,21)(H,19,22)
InChIKeyAQZHJOLTJBLQOW-UHFFFAOYSA-N
MW389.42 g/mol
LogP2.15
Rot. Bonds5

About 4-nitro-N'-(2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetyl)benzohydrazide

4-nitro-N'-(2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetyl)benzohydrazide (PubChem CID 46661780) has the molecular formula C15H11N5O4S2 and a molecular weight of 389.42 g/mol. Its IUPAC name is 4-nitro-N'-(2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetyl)benzohydrazide.

Molecular Properties

Compound Name4-nitro-N'-(2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetyl)benzohydrazide
PubChem CID46661780
Molecular FormulaC15H11N5O4S2
Molecular Weight389.42 g/mol
Exact Mass389.03
IUPAC Name4-nitro-N'-(2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetyl)benzohydrazide
SMILESO=C(CSc1ncnc2ccsc12)NNC(=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H11N5O4S2/c21-12(7-26-15-13-11(5-6-25-13)16-8-17-15)18-19-14(22)9-1-3-10(4-2-9)20(23)24/h1-6,8H,7H2,(H,18,21)(H,19,22)
InChIKeyAQZHJOLTJBLQOW-UHFFFAOYSA-N
XLogP2.15
TPSA127.12 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.42
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

4-nitro-N'-(2-pyridin-2-ylsulfanylacetyl)benzohydrazide
CID 4173331
2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetic acid
CID 43236106
methyl 2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetate
CID 2808870
N-(3-methylbutan-2-yl)-2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetamide
CID 46661730
4-chloro-N'-[2-(4-nitrophenyl)sulfanylacetyl]benzohydrazide
CID 4832063
1-(4-methylphenyl)-2-thieno[3,2-d]pyrimidin-4-ylsulfanylethanone
CID 34256425
N-(4-fluorophenyl)-2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetamide
CID 34245034
N-(3-methoxypropyl)-2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetamide
CID 46661847
4-[(3-nitrophenyl)methylsulfanyl]thieno[3,2-d]pyrimidine
CID 34244500
[4-(2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetyl)phenyl]urea
CID 34111095
N'-[2-(3-methyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanylacetyl]-3-nitrobenzohydrazide
CID 46661567
1-(3,4-dimethylphenyl)-2-thieno[3,2-d]pyrimidin-4-ylsulfanylethanone
CID 18123998

Frequently Asked Questions

What is the IUPAC name of 4-nitro-N'-(2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetyl)benzohydrazide?
The IUPAC name of 4-nitro-N'-(2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetyl)benzohydrazide (CID 46661780) is 4-nitro-N'-(2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetyl)benzohydrazide.
What is the SMILES notation for 4-nitro-N'-(2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetyl)benzohydrazide?
The canonical SMILES for 4-nitro-N'-(2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetyl)benzohydrazide is O=C(CSc1ncnc2ccsc12)NNC(=O)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 4-nitro-N'-(2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetyl)benzohydrazide?
The InChIKey is AQZHJOLTJBLQOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N5O4S2/c21-12(7-26-15-13-11(5-6-25-13)16-8-17-15)18-19-14(22)9-1-3-10(4-2-9)20(23)24/h1-6,8H,7H2,(H,18,21)(H,19,22).
What are the key properties of 4-nitro-N'-(2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetyl)benzohydrazide?
4-nitro-N'-(2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetyl)benzohydrazide has a molecular weight of 389.42 g/mol, XLogP of 2.15, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-nitro-N'-(2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetyl)benzohydrazide is sourced from PubChem (CID 46661780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).