4-chloro-N'-(2-methoxybenzoyl)-2-methylsulfanylpyrimidine-5-carbohydrazide

C14H13ClN4O3S — CID 18858823

IUPAC4-chloro-N'-(2-methoxybenzoyl)-2-methylsulfanylpyrimidine-5-carbohydrazide
SMILESCOc1ccccc1C(=O)NNC(=O)c1cnc(SC)nc1Cl
InChIInChI=1S/C14H13ClN4O3S/c1-22-10-6-4-3-5-8(10)12(20)18-19-13(21)9-7-16-14(23-2)17-11(9)15/h3-7H,1-2H3,(H,18,20)(H,19,21)
InChIKeyQKWFGRRZTKFCKT-UHFFFAOYSA-N
MW352.80 g/mol
LogP1.94
Rot. Bonds4

About 4-chloro-N'-(2-methoxybenzoyl)-2-methylsulfanylpyrimidine-5-carbohydrazide

4-chloro-N'-(2-methoxybenzoyl)-2-methylsulfanylpyrimidine-5-carbohydrazide (PubChem CID 18858823) has the molecular formula C14H13ClN4O3S and a molecular weight of 352.80 g/mol. Its IUPAC name is 4-chloro-N'-(2-methoxybenzoyl)-2-methylsulfanylpyrimidine-5-carbohydrazide.

Molecular Properties

Compound Name4-chloro-N'-(2-methoxybenzoyl)-2-methylsulfanylpyrimidine-5-carbohydrazide
PubChem CID18858823
Molecular FormulaC14H13ClN4O3S
Molecular Weight352.80 g/mol
Exact Mass352.04
IUPAC Name4-chloro-N'-(2-methoxybenzoyl)-2-methylsulfanylpyrimidine-5-carbohydrazide
SMILESCOc1ccccc1C(=O)NNC(=O)c1cnc(SC)nc1Cl
InChIInChI=1S/C14H13ClN4O3S/c1-22-10-6-4-3-5-8(10)12(20)18-19-13(21)9-7-16-14(23-2)17-11(9)15/h3-7H,1-2H3,(H,18,20)(H,19,21)
InChIKeyQKWFGRRZTKFCKT-UHFFFAOYSA-N
XLogP1.94
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.80
LogP ≤ 51.94
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

4-chloro-N-(2,5-dimethoxyphenyl)-2-methylsulfanylpyrimidine-5-carboxamide
CID 18858718
4-chloro-N'-[2-(2,4-dichlorophenoxy)acetyl]-2-methylsulfanylpyrimidine-5-carbohydrazide
CID 18858831
N-(2-bromophenyl)-4-chloro-2-methylsulfanylpyrimidine-5-carboxamide
CID 18858793
1-(4-chloro-2-methylsulfanylpyrimidin-5-yl)-2-methoxyethanone
CID 164933954
2-methoxy-N'-[2-[(3,5,6-trichloro-2-pyridinyl)oxy]acetyl]benzohydrazide
CID 11668575
3,5-dichloro-N'-(2-methoxybenzoyl)benzohydrazide
CID 17133653
4-amino-6-chloro-N'-(2-methoxybenzoyl)quinoline-3-carbohydrazide
CID 39849255
ethyl 3-(4-chloro-2-methylsulfanylpyrimidin-5-yl)-3-oxopropanoate
CID 11086989
4-chloro-2-methylsulfanyl-N-(2,4,6-trichlorophenyl)pyrimidine-5-carboxamide
CID 155195547
N-[[(2-methoxybenzoyl)amino]carbamothioyl]acetamide
CID 4922802
N'-(5-amino-6-chloropyrimidin-4-yl)-2-methoxybenzohydrazide
CID 23477575
N-(2-methoxyphenyl)-2-methylsulfanylpyrimidine-5-carboxamide
CID 2226358

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N'-(2-methoxybenzoyl)-2-methylsulfanylpyrimidine-5-carbohydrazide?
The IUPAC name of 4-chloro-N'-(2-methoxybenzoyl)-2-methylsulfanylpyrimidine-5-carbohydrazide (CID 18858823) is 4-chloro-N'-(2-methoxybenzoyl)-2-methylsulfanylpyrimidine-5-carbohydrazide.
What is the SMILES notation for 4-chloro-N'-(2-methoxybenzoyl)-2-methylsulfanylpyrimidine-5-carbohydrazide?
The canonical SMILES for 4-chloro-N'-(2-methoxybenzoyl)-2-methylsulfanylpyrimidine-5-carbohydrazide is COc1ccccc1C(=O)NNC(=O)c1cnc(SC)nc1Cl.
What is the InChIKey of 4-chloro-N'-(2-methoxybenzoyl)-2-methylsulfanylpyrimidine-5-carbohydrazide?
The InChIKey is QKWFGRRZTKFCKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN4O3S/c1-22-10-6-4-3-5-8(10)12(20)18-19-13(21)9-7-16-14(23-2)17-11(9)15/h3-7H,1-2H3,(H,18,20)(H,19,21).
What are the key properties of 4-chloro-N'-(2-methoxybenzoyl)-2-methylsulfanylpyrimidine-5-carbohydrazide?
4-chloro-N'-(2-methoxybenzoyl)-2-methylsulfanylpyrimidine-5-carbohydrazide has a molecular weight of 352.80 g/mol, XLogP of 1.94, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N'-(2-methoxybenzoyl)-2-methylsulfanylpyrimidine-5-carbohydrazide is sourced from PubChem (CID 18858823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).