5-chloro-N'-(4-methylbenzoyl)-2-propylsulfanylpyrimidine-4-carbohydrazide

C16H17ClN4O2S — CID 35342910

IUPAC5-chloro-N'-(4-methylbenzoyl)-2-propylsulfanylpyrimidine-4-carbohydrazide
SMILESCCCSc1ncc(Cl)c(C(=O)NNC(=O)c2ccc(C)cc2)n1
InChIInChI=1S/C16H17ClN4O2S/c1-3-8-24-16-18-9-12(17)13(19-16)15(23)21-20-14(22)11-6-4-10(2)5-7-11/h4-7,9H,3,8H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyPTXNBELLYRXMAE-UHFFFAOYSA-N
MW364.86 g/mol
LogP3.02
Rot. Bonds5

About 5-chloro-N'-(4-methylbenzoyl)-2-propylsulfanylpyrimidine-4-carbohydrazide

5-chloro-N'-(4-methylbenzoyl)-2-propylsulfanylpyrimidine-4-carbohydrazide (PubChem CID 35342910) has the molecular formula C16H17ClN4O2S and a molecular weight of 364.86 g/mol. Its IUPAC name is 5-chloro-N'-(4-methylbenzoyl)-2-propylsulfanylpyrimidine-4-carbohydrazide.

Molecular Properties

Compound Name5-chloro-N'-(4-methylbenzoyl)-2-propylsulfanylpyrimidine-4-carbohydrazide
PubChem CID35342910
Molecular FormulaC16H17ClN4O2S
Molecular Weight364.86 g/mol
Exact Mass364.08
IUPAC Name5-chloro-N'-(4-methylbenzoyl)-2-propylsulfanylpyrimidine-4-carbohydrazide
SMILESCCCSc1ncc(Cl)c(C(=O)NNC(=O)c2ccc(C)cc2)n1
InChIInChI=1S/C16H17ClN4O2S/c1-3-8-24-16-18-9-12(17)13(19-16)15(23)21-20-14(22)11-6-4-10(2)5-7-11/h4-7,9H,3,8H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyPTXNBELLYRXMAE-UHFFFAOYSA-N
XLogP3.02
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.86
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-5-chloro-2-propylsulfanylpyrimidine-4-carboxamide
CID 2237846
5-chloro-N-[1-(4-methylanilino)-4-methylsulfanyl-1-oxobutan-2-yl]-2-propylsulfanylpyrimidine-4-carboxamide
CID 51065631
5-chloro-N'-(2,4-dimethylbenzoyl)-2-methylsulfanylpyrimidine-4-carbohydrazide
CID 43036852
5-chloro-N-[1-(2,4-dimethylanilino)-1-oxo-3-phenylpropan-2-yl]-2-propylsulfanylpyrimidine-4-carboxamide
CID 52988647
(4-bromophenyl) 5-chloro-2-propylsulfanylpyrimidine-4-carboxylate
CID 27150715
5-(4-chlorophenyl)sulfanyl-N'-(4-methylbenzoyl)-2-[(3-methylphenyl)methylsulfanyl]pyrimidine-4-carbohydrazide
CID 45155439
5-chloro-N'-(2-methylfuran-3-carbonyl)-2-methylsulfanylpyrimidine-4-carbohydrazide
CID 24672631
5-chloro-N'-[3-(dimethylamino)benzoyl]-2-methylsulfanylpyrimidine-4-carbohydrazide
CID 43051815
5-chloro-N'-(4,6-dimethylpyrimidin-2-yl)-2-methylsulfanylpyrimidine-4-carbohydrazide
CID 36809648
ethyl 4-[[5-chloro-2-[(3-methylphenyl)methylsulfanyl]pyrimidine-4-carbonyl]amino]benzoate
CID 19119510
5-chloro-N-[1-(2-methoxyanilino)-4-methylsulfanyl-1-oxobutan-2-yl]-2-propylsulfanylpyrimidine-4-carboxamide
CID 52988691
5-chloro-N-[(2,4-dimethylphenyl)methyl]-2-methylsulfanylpyrimidine-4-carboxamide
CID 46590925

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N'-(4-methylbenzoyl)-2-propylsulfanylpyrimidine-4-carbohydrazide?
The IUPAC name of 5-chloro-N'-(4-methylbenzoyl)-2-propylsulfanylpyrimidine-4-carbohydrazide (CID 35342910) is 5-chloro-N'-(4-methylbenzoyl)-2-propylsulfanylpyrimidine-4-carbohydrazide.
What is the SMILES notation for 5-chloro-N'-(4-methylbenzoyl)-2-propylsulfanylpyrimidine-4-carbohydrazide?
The canonical SMILES for 5-chloro-N'-(4-methylbenzoyl)-2-propylsulfanylpyrimidine-4-carbohydrazide is CCCSc1ncc(Cl)c(C(=O)NNC(=O)c2ccc(C)cc2)n1.
What is the InChIKey of 5-chloro-N'-(4-methylbenzoyl)-2-propylsulfanylpyrimidine-4-carbohydrazide?
The InChIKey is PTXNBELLYRXMAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN4O2S/c1-3-8-24-16-18-9-12(17)13(19-16)15(23)21-20-14(22)11-6-4-10(2)5-7-11/h4-7,9H,3,8H2,1-2H3,(H,20,22)(H,21,23).
What are the key properties of 5-chloro-N'-(4-methylbenzoyl)-2-propylsulfanylpyrimidine-4-carbohydrazide?
5-chloro-N'-(4-methylbenzoyl)-2-propylsulfanylpyrimidine-4-carbohydrazide has a molecular weight of 364.86 g/mol, XLogP of 3.02, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N'-(4-methylbenzoyl)-2-propylsulfanylpyrimidine-4-carbohydrazide is sourced from PubChem (CID 35342910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).