N-[(5-chlorothiophen-2-yl)methyl]-2-[4-(cyclopropylamino)quinazolin-2-yl]sulfanyl-N-methylacetamide

C19H19ClN4OS2 — CID 24528477

IUPACN-[(5-chlorothiophen-2-yl)methyl]-2-[4-(cyclopropylamino)quinazolin-2-yl]sulfanyl-N-methylacetamide
SMILESCN(Cc1ccc(Cl)s1)C(=O)CSc1nc(NC2CC2)c2ccccc2n1
InChIInChI=1S/C19H19ClN4OS2/c1-24(10-13-8-9-16(20)27-13)17(25)11-26-19-22-15-5-3-2-4-14(15)18(23-19)21-12-6-7-12/h2-5,8-9,12H,6-7,10-11H2,1H3,(H,21,22,23)
InChIKeyPZAUPFPGQSJFFZ-UHFFFAOYSA-N
MW418.98 g/mol
LogP4.67
Rot. Bonds7

About N-[(5-chlorothiophen-2-yl)methyl]-2-[4-(cyclopropylamino)quinazolin-2-yl]sulfanyl-N-methylacetamide

N-[(5-chlorothiophen-2-yl)methyl]-2-[4-(cyclopropylamino)quinazolin-2-yl]sulfanyl-N-methylacetamide (PubChem CID 24528477) has the molecular formula C19H19ClN4OS2 and a molecular weight of 418.98 g/mol. Its IUPAC name is N-[(5-chlorothiophen-2-yl)methyl]-2-[4-(cyclopropylamino)quinazolin-2-yl]sulfanyl-N-methylacetamide.

Molecular Properties

Compound NameN-[(5-chlorothiophen-2-yl)methyl]-2-[4-(cyclopropylamino)quinazolin-2-yl]sulfanyl-N-methylacetamide
PubChem CID24528477
Molecular FormulaC19H19ClN4OS2
Molecular Weight418.98 g/mol
Exact Mass418.07
IUPAC NameN-[(5-chlorothiophen-2-yl)methyl]-2-[4-(cyclopropylamino)quinazolin-2-yl]sulfanyl-N-methylacetamide
SMILESCN(Cc1ccc(Cl)s1)C(=O)CSc1nc(NC2CC2)c2ccccc2n1
InChIInChI=1S/C19H19ClN4OS2/c1-24(10-13-8-9-16(20)27-13)17(25)11-26-19-22-15-5-3-2-4-14(15)18(23-19)21-12-6-7-12/h2-5,8-9,12H,6-7,10-11H2,1H3,(H,21,22,23)
InChIKeyPZAUPFPGQSJFFZ-UHFFFAOYSA-N
XLogP4.67
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.98
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-2-[4-(cyclopropylamino)quinazolin-2-yl]sulfanyl-N-methylacetamide?
The IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-2-[4-(cyclopropylamino)quinazolin-2-yl]sulfanyl-N-methylacetamide (CID 24528477) is N-[(5-chlorothiophen-2-yl)methyl]-2-[4-(cyclopropylamino)quinazolin-2-yl]sulfanyl-N-methylacetamide.
What is the SMILES notation for N-[(5-chlorothiophen-2-yl)methyl]-2-[4-(cyclopropylamino)quinazolin-2-yl]sulfanyl-N-methylacetamide?
The canonical SMILES for N-[(5-chlorothiophen-2-yl)methyl]-2-[4-(cyclopropylamino)quinazolin-2-yl]sulfanyl-N-methylacetamide is CN(Cc1ccc(Cl)s1)C(=O)CSc1nc(NC2CC2)c2ccccc2n1.
What is the InChIKey of N-[(5-chlorothiophen-2-yl)methyl]-2-[4-(cyclopropylamino)quinazolin-2-yl]sulfanyl-N-methylacetamide?
The InChIKey is PZAUPFPGQSJFFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN4OS2/c1-24(10-13-8-9-16(20)27-13)17(25)11-26-19-22-15-5-3-2-4-14(15)18(23-19)21-12-6-7-12/h2-5,8-9,12H,6-7,10-11H2,1H3,(H,21,22,23).
What are the key properties of N-[(5-chlorothiophen-2-yl)methyl]-2-[4-(cyclopropylamino)quinazolin-2-yl]sulfanyl-N-methylacetamide?
N-[(5-chlorothiophen-2-yl)methyl]-2-[4-(cyclopropylamino)quinazolin-2-yl]sulfanyl-N-methylacetamide has a molecular weight of 418.98 g/mol, XLogP of 4.67, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorothiophen-2-yl)methyl]-2-[4-(cyclopropylamino)quinazolin-2-yl]sulfanyl-N-methylacetamide is sourced from PubChem (CID 24528477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).