N-(3-chloro-4-cyanophenyl)-2-thieno[3,2-d]pyrimidin-4-ylsulfanylpropanamide

C16H11ClN4OS2 — CID 51280486

IUPACN-(3-chloro-4-cyanophenyl)-2-thieno[3,2-d]pyrimidin-4-ylsulfanylpropanamide
SMILESCC(Sc1ncnc2ccsc12)C(=O)Nc1ccc(C#N)c(Cl)c1
InChIInChI=1S/C16H11ClN4OS2/c1-9(24-16-14-13(4-5-23-14)19-8-20-16)15(22)21-11-3-2-10(7-18)12(17)6-11/h2-6,8-9H,1H3,(H,21,22)
InChIKeyNBLJQUOAIYZWJK-UHFFFAOYSA-N
MW374.88 g/mol
LogP4.34
Rot. Bonds4

About N-(3-chloro-4-cyanophenyl)-2-thieno[3,2-d]pyrimidin-4-ylsulfanylpropanamide

N-(3-chloro-4-cyanophenyl)-2-thieno[3,2-d]pyrimidin-4-ylsulfanylpropanamide (PubChem CID 51280486) has the molecular formula C16H11ClN4OS2 and a molecular weight of 374.88 g/mol. Its IUPAC name is N-(3-chloro-4-cyanophenyl)-2-thieno[3,2-d]pyrimidin-4-ylsulfanylpropanamide.

Molecular Properties

Compound NameN-(3-chloro-4-cyanophenyl)-2-thieno[3,2-d]pyrimidin-4-ylsulfanylpropanamide
PubChem CID51280486
Molecular FormulaC16H11ClN4OS2
Molecular Weight374.88 g/mol
Exact Mass374.01
IUPAC NameN-(3-chloro-4-cyanophenyl)-2-thieno[3,2-d]pyrimidin-4-ylsulfanylpropanamide
SMILESCC(Sc1ncnc2ccsc12)C(=O)Nc1ccc(C#N)c(Cl)c1
InChIInChI=1S/C16H11ClN4OS2/c1-9(24-16-14-13(4-5-23-14)19-8-20-16)15(22)21-11-3-2-10(7-18)12(17)6-11/h2-6,8-9H,1H3,(H,21,22)
InChIKeyNBLJQUOAIYZWJK-UHFFFAOYSA-N
XLogP4.34
TPSA78.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.88
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(2-thieno[3,2-d]pyrimidin-4-ylsulfanylpropanoylamino)benzamide
CID 51280442
N-(4-ethoxyphenyl)-2-thieno[3,2-d]pyrimidin-4-ylsulfanylpropanamide
CID 18123973
2-thieno[3,2-d]pyrimidin-4-ylsulfanyl-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 18275346
N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-thieno[3,2-d]pyrimidin-4-ylsulfanylpropanamide
CID 24559112
(2R)-N-(phenylcarbamoyl)-2-thieno[3,2-d]pyrimidin-4-ylsulfanylpropanamide
CID 41045217
(2R)-N-(3-chloro-4-cyanophenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide
CID 42116808
N-cycloheptyl-2-thieno[3,2-d]pyrimidin-4-ylsulfanylpropanamide
CID 18123984
2,2-dimethyl-N-[4-(2-thieno[3,2-d]pyrimidin-4-ylsulfanylpropanoyl)phenyl]propanamide
CID 46666372
N-(3-chloro-4-cyanophenyl)-2-(1-propan-2-yltetrazol-5-yl)sulfanylpropanamide
CID 24520288
(2S)-N-(3-chloro-4-cyanophenyl)-2-[[5-(2-methylpropylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
CID 8935034
N-(2-methoxy-5-methylphenyl)-2-thieno[3,2-d]pyrimidin-4-ylsulfanylpropanamide
CID 18123978
2-[[5-(2-amino-2-oxoethyl)sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(3-chloro-4-cyanophenyl)propanamide
CID 43015200

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-cyanophenyl)-2-thieno[3,2-d]pyrimidin-4-ylsulfanylpropanamide?
The IUPAC name of N-(3-chloro-4-cyanophenyl)-2-thieno[3,2-d]pyrimidin-4-ylsulfanylpropanamide (CID 51280486) is N-(3-chloro-4-cyanophenyl)-2-thieno[3,2-d]pyrimidin-4-ylsulfanylpropanamide.
What is the SMILES notation for N-(3-chloro-4-cyanophenyl)-2-thieno[3,2-d]pyrimidin-4-ylsulfanylpropanamide?
The canonical SMILES for N-(3-chloro-4-cyanophenyl)-2-thieno[3,2-d]pyrimidin-4-ylsulfanylpropanamide is CC(Sc1ncnc2ccsc12)C(=O)Nc1ccc(C#N)c(Cl)c1.
What is the InChIKey of N-(3-chloro-4-cyanophenyl)-2-thieno[3,2-d]pyrimidin-4-ylsulfanylpropanamide?
The InChIKey is NBLJQUOAIYZWJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClN4OS2/c1-9(24-16-14-13(4-5-23-14)19-8-20-16)15(22)21-11-3-2-10(7-18)12(17)6-11/h2-6,8-9H,1H3,(H,21,22).
What are the key properties of N-(3-chloro-4-cyanophenyl)-2-thieno[3,2-d]pyrimidin-4-ylsulfanylpropanamide?
N-(3-chloro-4-cyanophenyl)-2-thieno[3,2-d]pyrimidin-4-ylsulfanylpropanamide has a molecular weight of 374.88 g/mol, XLogP of 4.34, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-cyanophenyl)-2-thieno[3,2-d]pyrimidin-4-ylsulfanylpropanamide is sourced from PubChem (CID 51280486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).