N'-[2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylacetyl]thiophene-2-carbohydrazide

C16H14N4O3S2 — CID 5199833

IUPACN'-[2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylacetyl]thiophene-2-carbohydrazide
SMILESCn1c(SCC(=O)NNC(=O)c2cccs2)nc2ccccc2c1=O
InChIInChI=1S/C16H14N4O3S2/c1-20-15(23)10-5-2-3-6-11(10)17-16(20)25-9-13(21)18-19-14(22)12-7-4-8-24-12/h2-8H,9H2,1H3,(H,18,21)(H,19,22)
InChIKeyDAVRGAVWQXCQHI-UHFFFAOYSA-N
MW374.45 g/mol
LogP1.55
Rot. Bonds4

About N'-[2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylacetyl]thiophene-2-carbohydrazide

N'-[2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylacetyl]thiophene-2-carbohydrazide (PubChem CID 5199833) has the molecular formula C16H14N4O3S2 and a molecular weight of 374.45 g/mol. Its IUPAC name is N'-[2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylacetyl]thiophene-2-carbohydrazide.

Molecular Properties

Compound NameN'-[2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylacetyl]thiophene-2-carbohydrazide
PubChem CID5199833
Molecular FormulaC16H14N4O3S2
Molecular Weight374.45 g/mol
Exact Mass374.05
IUPAC NameN'-[2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylacetyl]thiophene-2-carbohydrazide
SMILESCn1c(SCC(=O)NNC(=O)c2cccs2)nc2ccccc2c1=O
InChIInChI=1S/C16H14N4O3S2/c1-20-15(23)10-5-2-3-6-11(10)17-16(20)25-9-13(21)18-19-14(22)12-7-4-8-24-12/h2-8H,9H2,1H3,(H,18,21)(H,19,22)
InChIKeyDAVRGAVWQXCQHI-UHFFFAOYSA-N
XLogP1.55
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.45
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-(4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanylacetyl]thiophene-2-carbohydrazide
CID 7427701
2-(3-methyl-4-oxoquinazolin-2-yl)sulfanyl-N-(thiophen-2-ylmethyl)acetamide
CID 5110121
N-ethyl-2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylacetamide
CID 3895819
N-(3-methylbutan-2-yl)-2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylacetamide
CID 51140960
N'-[2-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]benzohydrazide
CID 2610566
2-(3-methyl-4-oxoquinazolin-2-yl)sulfanyl-N-prop-2-enylacetamide
CID 3149105
N-(3-hydroxyphenyl)-2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylacetamide
CID 864135
ethyl 5-acetyl-4-methyl-2-[[2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylacetyl]amino]thiophene-3-carboxylate
CID 2491110
N-(2,6-diethylphenyl)-2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylacetamide
CID 7421338
N-(tert-butylcarbamoyl)-2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylacetamide
CID 3656560
3-butyl-2-(2-oxo-2-thiophen-2-ylethyl)sulfanylquinazolin-4-one
CID 7856825
3-methyl-2-(2-methylprop-2-enylsulfanyl)quinazolin-4-one
CID 2980541

Frequently Asked Questions

What is the IUPAC name of N'-[2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylacetyl]thiophene-2-carbohydrazide?
The IUPAC name of N'-[2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylacetyl]thiophene-2-carbohydrazide (CID 5199833) is N'-[2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylacetyl]thiophene-2-carbohydrazide.
What is the SMILES notation for N'-[2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylacetyl]thiophene-2-carbohydrazide?
The canonical SMILES for N'-[2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylacetyl]thiophene-2-carbohydrazide is Cn1c(SCC(=O)NNC(=O)c2cccs2)nc2ccccc2c1=O.
What is the InChIKey of N'-[2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylacetyl]thiophene-2-carbohydrazide?
The InChIKey is DAVRGAVWQXCQHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O3S2/c1-20-15(23)10-5-2-3-6-11(10)17-16(20)25-9-13(21)18-19-14(22)12-7-4-8-24-12/h2-8H,9H2,1H3,(H,18,21)(H,19,22).
What are the key properties of N'-[2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylacetyl]thiophene-2-carbohydrazide?
N'-[2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylacetyl]thiophene-2-carbohydrazide has a molecular weight of 374.45 g/mol, XLogP of 1.55, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylacetyl]thiophene-2-carbohydrazide is sourced from PubChem (CID 5199833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).