N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-[4-(methylamino)quinazolin-2-yl]sulfanylacetamide

C17H17ClN4OS2 — CID 17471073

IUPACN-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-[4-(methylamino)quinazolin-2-yl]sulfanylacetamide
SMILESCNc1nc(SCC(=O)N(C)Cc2ccc(Cl)s2)nc2ccccc12
InChIInChI=1S/C17H17ClN4OS2/c1-19-16-12-5-3-4-6-13(12)20-17(21-16)24-10-15(23)22(2)9-11-7-8-14(18)25-11/h3-8H,9-10H2,1-2H3,(H,19,20,21)
InChIKeyYDYYZTDWGJVXIF-UHFFFAOYSA-N
MW392.94 g/mol
LogP4.14
Rot. Bonds6

About N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-[4-(methylamino)quinazolin-2-yl]sulfanylacetamide

N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-[4-(methylamino)quinazolin-2-yl]sulfanylacetamide (PubChem CID 17471073) has the molecular formula C17H17ClN4OS2 and a molecular weight of 392.94 g/mol. Its IUPAC name is N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-[4-(methylamino)quinazolin-2-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-[4-(methylamino)quinazolin-2-yl]sulfanylacetamide
PubChem CID17471073
Molecular FormulaC17H17ClN4OS2
Molecular Weight392.94 g/mol
Exact Mass392.05
IUPAC NameN-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-[4-(methylamino)quinazolin-2-yl]sulfanylacetamide
SMILESCNc1nc(SCC(=O)N(C)Cc2ccc(Cl)s2)nc2ccccc12
InChIInChI=1S/C17H17ClN4OS2/c1-19-16-12-5-3-4-6-13(12)20-17(21-16)24-10-15(23)22(2)9-11-7-8-14(18)25-11/h3-8H,9-10H2,1-2H3,(H,19,20,21)
InChIKeyYDYYZTDWGJVXIF-UHFFFAOYSA-N
XLogP4.14
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.94
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-chloro-2-(4-methylpiperazin-1-yl)-N-(thiophen-2-ylmethyl)quinazolin-4-amine
CID 25147772
N-Cyclopentyl-2-(2-propyl-quinazolin-4-ylsulfanyl)-acetamide
CID 1442575
CID 3221482
CID 3221482
N-[5-(4-chlorophenyl)-1,2,4-thiadiazol-3-yl]-2-(2-quinolinylthio)acetamide
CID 1281724
2-(2-Ethyl-quinazolin-4-ylsulfanyl)-1-pyrrolidin-1-yl-ethanone
CID 652846
2-(2-Tert-butylquinazolin-4-yl)sulfanyl-1-pyrrolidin-1-ylethanone
CID 1442380
1-{4-[2-(Thiophen-2-yl)quinazolin-4-yl]piperazin-1-yl}ethan-1-one
CID 2469159
2-(2-Benzyl-quinazolin-4-ylsulfanyl)-N-butyl-acetamide
CID 3221474
[2-(2-Thiophen-2-ylmethyl-quinazolin-4-ylsulfanyl)-acetylamino]-acetic acid ethyl ester
CID 3221484
1-(3,5-Dimethyl-1-piperidinyl)-2-[[2-(thiophen-2-ylmethyl)-4-quinazolinyl]thio]ethanone
CID 3221486
2-(2-chlorophenyl)-N-(thiophen-2-ylmethyl)quinazolin-4-amine
CID 3233331
7-chloro-2-[({4-[(4-chlorobenzyl)amino]quinazolin-2-yl}thio)methyl]-4H-pyrido[1,2-a]pyrimidin-4-one
CID 3632467

Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-[4-(methylamino)quinazolin-2-yl]sulfanylacetamide?
The IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-[4-(methylamino)quinazolin-2-yl]sulfanylacetamide (CID 17471073) is N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-[4-(methylamino)quinazolin-2-yl]sulfanylacetamide.
What is the SMILES notation for N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-[4-(methylamino)quinazolin-2-yl]sulfanylacetamide?
The canonical SMILES for N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-[4-(methylamino)quinazolin-2-yl]sulfanylacetamide is CNc1nc(SCC(=O)N(C)Cc2ccc(Cl)s2)nc2ccccc12.
What is the InChIKey of N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-[4-(methylamino)quinazolin-2-yl]sulfanylacetamide?
The InChIKey is YDYYZTDWGJVXIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN4OS2/c1-19-16-12-5-3-4-6-13(12)20-17(21-16)24-10-15(23)22(2)9-11-7-8-14(18)25-11/h3-8H,9-10H2,1-2H3,(H,19,20,21).
What are the key properties of N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-[4-(methylamino)quinazolin-2-yl]sulfanylacetamide?
N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-[4-(methylamino)quinazolin-2-yl]sulfanylacetamide has a molecular weight of 392.94 g/mol, XLogP of 4.14, 6 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]-N-methyl-2-[4-(methylamino)quinazolin-2-yl]sulfanylacetamide is sourced from PubChem (CID 17471073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).