N'-(6-chloro-5-methylthieno[2,3-d]pyrimidin-4-yl)-2-hydroxybenzohydrazide

C14H11ClN4O2S — CID 134156102

IUPACN'-(6-chloro-5-methylthieno[2,3-d]pyrimidin-4-yl)-2-hydroxybenzohydrazide
SMILESCc1c(Cl)sc2ncnc(NNC(=O)c3ccccc3O)c12
InChIInChI=1S/C14H11ClN4O2S/c1-7-10-12(16-6-17-14(10)22-11(7)15)18-19-13(21)8-4-2-3-5-9(8)20/h2-6,20H,1H3,(H,19,21)(H,16,17,18)
InChIKeyCWAPMUFOUJTECE-UHFFFAOYSA-N
MW334.79 g/mol
LogP3.12
Rot. Bonds3

About N'-(6-chloro-5-methylthieno[2,3-d]pyrimidin-4-yl)-2-hydroxybenzohydrazide

N'-(6-chloro-5-methylthieno[2,3-d]pyrimidin-4-yl)-2-hydroxybenzohydrazide (PubChem CID 134156102) has the molecular formula C14H11ClN4O2S and a molecular weight of 334.79 g/mol. Its IUPAC name is N'-(6-chloro-5-methylthieno[2,3-d]pyrimidin-4-yl)-2-hydroxybenzohydrazide.

Molecular Properties

Compound NameN'-(6-chloro-5-methylthieno[2,3-d]pyrimidin-4-yl)-2-hydroxybenzohydrazide
PubChem CID134156102
Molecular FormulaC14H11ClN4O2S
Molecular Weight334.79 g/mol
Exact Mass334.03
IUPAC NameN'-(6-chloro-5-methylthieno[2,3-d]pyrimidin-4-yl)-2-hydroxybenzohydrazide
SMILESCc1c(Cl)sc2ncnc(NNC(=O)c3ccccc3O)c12
InChIInChI=1S/C14H11ClN4O2S/c1-7-10-12(16-6-17-14(10)22-11(7)15)18-19-13(21)8-4-2-3-5-9(8)20/h2-6,20H,1H3,(H,19,21)(H,16,17,18)
InChIKeyCWAPMUFOUJTECE-UHFFFAOYSA-N
XLogP3.12
TPSA87.14 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.79
LogP ≤ 53.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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'-(6-chloro-5-methylthieno[2,3-d]pyrimidin-4-yl)-2-hydroxybenzohydrazide?
The IUPAC name of N'-(6-chloro-5-methylthieno[2,3-d]pyrimidin-4-yl)-2-hydroxybenzohydrazide (CID 134156102) is N'-(6-chloro-5-methylthieno[2,3-d]pyrimidin-4-yl)-2-hydroxybenzohydrazide.
What is the SMILES notation for N'-(6-chloro-5-methylthieno[2,3-d]pyrimidin-4-yl)-2-hydroxybenzohydrazide?
The canonical SMILES for N'-(6-chloro-5-methylthieno[2,3-d]pyrimidin-4-yl)-2-hydroxybenzohydrazide is Cc1c(Cl)sc2ncnc(NNC(=O)c3ccccc3O)c12.
What is the InChIKey of N'-(6-chloro-5-methylthieno[2,3-d]pyrimidin-4-yl)-2-hydroxybenzohydrazide?
The InChIKey is CWAPMUFOUJTECE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN4O2S/c1-7-10-12(16-6-17-14(10)22-11(7)15)18-19-13(21)8-4-2-3-5-9(8)20/h2-6,20H,1H3,(H,19,21)(H,16,17,18).
What are the key properties of N'-(6-chloro-5-methylthieno[2,3-d]pyrimidin-4-yl)-2-hydroxybenzohydrazide?
N'-(6-chloro-5-methylthieno[2,3-d]pyrimidin-4-yl)-2-hydroxybenzohydrazide has a molecular weight of 334.79 g/mol, XLogP of 3.12, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(6-chloro-5-methylthieno[2,3-d]pyrimidin-4-yl)-2-hydroxybenzohydrazide is sourced from PubChem (CID 134156102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).