N,N-diethyl-4-(5-thieno[2,3-d]pyrimidin-4-ylsulfanyl-1,3,4-oxadiazol-2-yl)aniline

C18H17N5OS2 — CID 24567145

IUPACN,N-diethyl-4-(5-thieno[2,3-d]pyrimidin-4-ylsulfanyl-1,3,4-oxadiazol-2-yl)aniline
SMILESCCN(CC)c1ccc(-c2nnc(Sc3ncnc4sccc34)o2)cc1
InChIInChI=1S/C18H17N5OS2/c1-3-23(4-2)13-7-5-12(6-8-13)15-21-22-18(24-15)26-17-14-9-10-25-16(14)19-11-20-17/h5-11H,3-4H2,1-2H3
InChIKeyBBJRUVJJAXMANT-UHFFFAOYSA-N
MW383.50 g/mol
LogP4.74
Rot. Bonds6

About N,N-diethyl-4-(5-thieno[2,3-d]pyrimidin-4-ylsulfanyl-1,3,4-oxadiazol-2-yl)aniline

N,N-diethyl-4-(5-thieno[2,3-d]pyrimidin-4-ylsulfanyl-1,3,4-oxadiazol-2-yl)aniline (PubChem CID 24567145) has the molecular formula C18H17N5OS2 and a molecular weight of 383.50 g/mol. Its IUPAC name is N,N-diethyl-4-(5-thieno[2,3-d]pyrimidin-4-ylsulfanyl-1,3,4-oxadiazol-2-yl)aniline.

Molecular Properties

Compound NameN,N-diethyl-4-(5-thieno[2,3-d]pyrimidin-4-ylsulfanyl-1,3,4-oxadiazol-2-yl)aniline
PubChem CID24567145
Molecular FormulaC18H17N5OS2
Molecular Weight383.50 g/mol
Exact Mass383.09
IUPAC NameN,N-diethyl-4-(5-thieno[2,3-d]pyrimidin-4-ylsulfanyl-1,3,4-oxadiazol-2-yl)aniline
SMILESCCN(CC)c1ccc(-c2nnc(Sc3ncnc4sccc34)o2)cc1
InChIInChI=1S/C18H17N5OS2/c1-3-23(4-2)13-7-5-12(6-8-13)15-21-22-18(24-15)26-17-14-9-10-25-16(14)19-11-20-17/h5-11H,3-4H2,1-2H3
InChIKeyBBJRUVJJAXMANT-UHFFFAOYSA-N
XLogP4.74
TPSA67.94 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.50
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

2-(4-ethylphenyl)-5-thieno[2,3-d]pyrimidin-4-ylsulfanyl-1,3,4-oxadiazole
CID 17457537
2-[[5-[4-(diethylamino)phenyl]-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-3H-thieno[3,2-d]pyrimidin-4-one
CID 137290111
2-(4-fluorophenyl)-5-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1,3,4-oxadiazole
CID 9333785
N,N-diethyl-4-[5-[(2-fluorophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]aniline
CID 55373654
2-(4-chlorophenyl)-5-(6-chloroquinazolin-4-yl)sulfanyl-1,3,4-oxadiazole
CID 134129207
2-(4-methoxyphenyl)-5-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-ylsulfanyl)-1,3,4-oxadiazole
CID 9334032
2-[[5-[4-(diethylamino)phenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-2-phenylacetamide
CID 24597995
N,N-diethyl-4-[5-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]-1,3,4-oxadiazol-2-yl]aniline
CID 60546957
2-(furan-2-yl)-5-(thieno[2,3-d]pyrimidin-4-ylsulfanylmethyl)-1,3,4-oxadiazole
CID 7889194
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetate
CID 7735658
N,N-diethyl-4-(1,3-oxazol-2-yl)aniline
CID 23047077
4-(4-fluorophenyl)sulfanylthieno[2,3-d]pyrimidine
CID 4814433

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-(5-thieno[2,3-d]pyrimidin-4-ylsulfanyl-1,3,4-oxadiazol-2-yl)aniline?
The IUPAC name of N,N-diethyl-4-(5-thieno[2,3-d]pyrimidin-4-ylsulfanyl-1,3,4-oxadiazol-2-yl)aniline (CID 24567145) is N,N-diethyl-4-(5-thieno[2,3-d]pyrimidin-4-ylsulfanyl-1,3,4-oxadiazol-2-yl)aniline.
What is the SMILES notation for N,N-diethyl-4-(5-thieno[2,3-d]pyrimidin-4-ylsulfanyl-1,3,4-oxadiazol-2-yl)aniline?
The canonical SMILES for N,N-diethyl-4-(5-thieno[2,3-d]pyrimidin-4-ylsulfanyl-1,3,4-oxadiazol-2-yl)aniline is CCN(CC)c1ccc(-c2nnc(Sc3ncnc4sccc34)o2)cc1.
What is the InChIKey of N,N-diethyl-4-(5-thieno[2,3-d]pyrimidin-4-ylsulfanyl-1,3,4-oxadiazol-2-yl)aniline?
The InChIKey is BBJRUVJJAXMANT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5OS2/c1-3-23(4-2)13-7-5-12(6-8-13)15-21-22-18(24-15)26-17-14-9-10-25-16(14)19-11-20-17/h5-11H,3-4H2,1-2H3.
What are the key properties of N,N-diethyl-4-(5-thieno[2,3-d]pyrimidin-4-ylsulfanyl-1,3,4-oxadiazol-2-yl)aniline?
N,N-diethyl-4-(5-thieno[2,3-d]pyrimidin-4-ylsulfanyl-1,3,4-oxadiazol-2-yl)aniline has a molecular weight of 383.50 g/mol, XLogP of 4.74, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-(5-thieno[2,3-d]pyrimidin-4-ylsulfanyl-1,3,4-oxadiazol-2-yl)aniline is sourced from PubChem (CID 24567145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).