5-chloro-N'-[3-(dimethylamino)benzoyl]-2-methylsulfanylpyrimidine-4-carbohydrazide

C15H16ClN5O2S — CID 43051815

IUPAC5-chloro-N'-[3-(dimethylamino)benzoyl]-2-methylsulfanylpyrimidine-4-carbohydrazide
SMILESCSc1ncc(Cl)c(C(=O)NNC(=O)c2cccc(N(C)C)c2)n1
InChIInChI=1S/C15H16ClN5O2S/c1-21(2)10-6-4-5-9(7-10)13(22)19-20-14(23)12-11(16)8-17-15(18-12)24-3/h4-8H,1-3H3,(H,19,22)(H,20,23)
InChIKeyDOVHCWMUWCXFFN-UHFFFAOYSA-N
MW365.85 g/mol
LogP1.99
Rot. Bonds4

About 5-chloro-N'-[3-(dimethylamino)benzoyl]-2-methylsulfanylpyrimidine-4-carbohydrazide

5-chloro-N'-[3-(dimethylamino)benzoyl]-2-methylsulfanylpyrimidine-4-carbohydrazide (PubChem CID 43051815) has the molecular formula C15H16ClN5O2S and a molecular weight of 365.85 g/mol. Its IUPAC name is 5-chloro-N'-[3-(dimethylamino)benzoyl]-2-methylsulfanylpyrimidine-4-carbohydrazide.

Molecular Properties

Compound Name5-chloro-N'-[3-(dimethylamino)benzoyl]-2-methylsulfanylpyrimidine-4-carbohydrazide
PubChem CID43051815
Molecular FormulaC15H16ClN5O2S
Molecular Weight365.85 g/mol
Exact Mass365.07
IUPAC Name5-chloro-N'-[3-(dimethylamino)benzoyl]-2-methylsulfanylpyrimidine-4-carbohydrazide
SMILESCSc1ncc(Cl)c(C(=O)NNC(=O)c2cccc(N(C)C)c2)n1
InChIInChI=1S/C15H16ClN5O2S/c1-21(2)10-6-4-5-9(7-10)13(22)19-20-14(23)12-11(16)8-17-15(18-12)24-3/h4-8H,1-3H3,(H,19,22)(H,20,23)
InChIKeyDOVHCWMUWCXFFN-UHFFFAOYSA-N
XLogP1.99
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.85
LogP ≤ 51.99
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

5-chloro-N'-(2-methylfuran-3-carbonyl)-2-methylsulfanylpyrimidine-4-carbohydrazide
CID 24672631
5-chloro-N-(3-iodophenyl)-2-methylsulfanylpyrimidine-4-carboxamide
CID 2983334
1-[(5-chloro-2-methylsulfanylpyrimidine-4-carbonyl)amino]-3-propan-2-ylthiourea
CID 24672599
5-chloro-N-[(3-fluorophenyl)methyl]-2-methylsulfanylpyrimidine-4-carboxamide
CID 46586010
5-chloro-N-[3-(hydroxymethyl)phenyl]-2-methylsulfanylpyrimidine-4-carboxamide
CID 60728722
5-chloro-N-(9H-fluoren-9-yl)-2-methylsulfanylpyrimidine-4-carboxamide
CID 3313146
N'-(4-tert-butylbenzoyl)-3-(dimethylamino)benzohydrazide
CID 26184746
5-chloro-N-(3-methyl-2-pyridinyl)-2-methylsulfanylpyrimidine-4-carboxamide
CID 6462899
5-chloro-N-(2-hydroxypropyl)-2-methylsulfanylpyrimidine-4-carboxamide
CID 43418256
5-chloro-N-(furan-2-ylmethyl)-2-methylsulfanylpyrimidine-4-carboxamide
CID 6463310
N'-[1-(3-chlorophenyl)cyclopropanecarbonyl]-3-(dimethylamino)benzohydrazide
CID 35709086
5-chloro-N-(2,2-diphenylpropyl)-2-methylsulfanylpyrimidine-4-carboxamide
CID 24653889

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N'-[3-(dimethylamino)benzoyl]-2-methylsulfanylpyrimidine-4-carbohydrazide?
The IUPAC name of 5-chloro-N'-[3-(dimethylamino)benzoyl]-2-methylsulfanylpyrimidine-4-carbohydrazide (CID 43051815) is 5-chloro-N'-[3-(dimethylamino)benzoyl]-2-methylsulfanylpyrimidine-4-carbohydrazide.
What is the SMILES notation for 5-chloro-N'-[3-(dimethylamino)benzoyl]-2-methylsulfanylpyrimidine-4-carbohydrazide?
The canonical SMILES for 5-chloro-N'-[3-(dimethylamino)benzoyl]-2-methylsulfanylpyrimidine-4-carbohydrazide is CSc1ncc(Cl)c(C(=O)NNC(=O)c2cccc(N(C)C)c2)n1.
What is the InChIKey of 5-chloro-N'-[3-(dimethylamino)benzoyl]-2-methylsulfanylpyrimidine-4-carbohydrazide?
The InChIKey is DOVHCWMUWCXFFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN5O2S/c1-21(2)10-6-4-5-9(7-10)13(22)19-20-14(23)12-11(16)8-17-15(18-12)24-3/h4-8H,1-3H3,(H,19,22)(H,20,23).
What are the key properties of 5-chloro-N'-[3-(dimethylamino)benzoyl]-2-methylsulfanylpyrimidine-4-carbohydrazide?
5-chloro-N'-[3-(dimethylamino)benzoyl]-2-methylsulfanylpyrimidine-4-carbohydrazide has a molecular weight of 365.85 g/mol, XLogP of 1.99, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N'-[3-(dimethylamino)benzoyl]-2-methylsulfanylpyrimidine-4-carbohydrazide is sourced from PubChem (CID 43051815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).