CID 154709525

C14H13N2O2S — CID 154709525

IUPAC—
SMILESCCOC(=O)c1c(C)nc([S])nc1-c1ccccc1
InChIInChI=1S/C14H13N2O2S/c1-3-18-13(17)11-9(2)15-14(19)16-12(11)10-7-5-4-6-8-10/h4-8H,3H2,1-2H3
InChIKeyXXXFXHKBLXWSKD-UHFFFAOYSA-N
MW273.34 g/mol
LogP3.19
Rot. Bonds3

About CID 154709525

CID 154709525 (PubChem CID 154709525) has the molecular formula C14H13N2O2S and a molecular weight of 273.34 g/mol.

Molecular Properties

Compound NameCID 154709525
PubChem CID154709525
Molecular FormulaC14H13N2O2S
Molecular Weight273.34 g/mol
Exact Mass273.07
IUPAC Name—
SMILESCCOC(=O)c1c(C)nc([S])nc1-c1ccccc1
InChIInChI=1S/C14H13N2O2S/c1-3-18-13(17)11-9(2)15-14(19)16-12(11)10-7-5-4-6-8-10/h4-8H,3H2,1-2H3
InChIKeyXXXFXHKBLXWSKD-UHFFFAOYSA-N
XLogP3.19
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-ethyl-4-methyl-6-phenylpyrimidine-5-carboxylate
CID 139241104
ethyl 2-hydrazinyl-4-methyl-6-phenylpyrimidine-5-carboxylate
CID 71660499
ethyl 2-(diethylamino)-4-methyl-6-phenylpyrimidine-5-carboxylate
CID 134844115
ethyl 2-(4-methoxyphenyl)-4-methyl-6-phenylpyrimidine-5-carboxylate
CID 102584507
diethyl 2-ethyl-4-methyl-6-phenylpyridine-3,5-dicarboxylate
CID 10521182
ethyl 6-methyl-2-oxo-4-phenyl-1H-pyrimidine-5-carboxylate
CID 2763693
ethyl 4-methyl-6-phenylpyrimidine-5-carboxylate
CID 135045794
ethyl 2-decyl-4-methyl-6-phenylpyrimidine-5-carboxylate
CID 139241116
ethyl 4-methyl-6-phenyl-2-thiophen-2-ylpyrimidine-5-carboxylate
CID 132554839
ethyl 2-(3-hydroxypropylamino)-4-methyl-6-phenylpyrimidine-5-carboxylate
CID 53306075
ethyl 2-(dipyridin-2-ylamino)-4-methyl-6-phenylpyrimidine-5-carboxylate
CID 122401115
5-ethoxycarbonyl-2,4-diethyl-6-phenylpyridine-3-carboxylic acid
CID 10853649

Frequently Asked Questions

What is the IUPAC name of CID 154709525?
The IUPAC name of CID 154709525 (CID 154709525) is not available.
What is the SMILES notation for CID 154709525?
The canonical SMILES for CID 154709525 is CCOC(=O)c1c(C)nc([S])nc1-c1ccccc1.
What is the InChIKey of CID 154709525?
The InChIKey is XXXFXHKBLXWSKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N2O2S/c1-3-18-13(17)11-9(2)15-14(19)16-12(11)10-7-5-4-6-8-10/h4-8H,3H2,1-2H3.
What are the key properties of CID 154709525?
CID 154709525 has a molecular weight of 273.34 g/mol, XLogP of 3.19, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 154709525 is sourced from PubChem (CID 154709525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).