N-propyl-2-thieno[3,2-d]pyrimidin-4-ylsulfanyl-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]acetamide

C18H17N5O2S3 — CID 24559077

IUPACN-propyl-2-thieno[3,2-d]pyrimidin-4-ylsulfanyl-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]acetamide
SMILESCCCN(Cc1nnc(-c2cccs2)o1)C(=O)CSc1ncnc2ccsc12
InChIInChI=1S/C18H17N5O2S3/c1-2-6-23(9-14-21-22-17(25-14)13-4-3-7-26-13)15(24)10-28-18-16-12(5-8-27-16)19-11-20-18/h3-5,7-8,11H,2,6,9-10H2,1H3
InChIKeySAPDNQFUFQGFME-UHFFFAOYSA-N
MW431.57 g/mol
LogP4.33
Rot. Bonds8

About N-propyl-2-thieno[3,2-d]pyrimidin-4-ylsulfanyl-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]acetamide

N-propyl-2-thieno[3,2-d]pyrimidin-4-ylsulfanyl-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]acetamide (PubChem CID 24559077) has the molecular formula C18H17N5O2S3 and a molecular weight of 431.57 g/mol. Its IUPAC name is N-propyl-2-thieno[3,2-d]pyrimidin-4-ylsulfanyl-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]acetamide.

Molecular Properties

Compound NameN-propyl-2-thieno[3,2-d]pyrimidin-4-ylsulfanyl-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]acetamide
PubChem CID24559077
Molecular FormulaC18H17N5O2S3
Molecular Weight431.57 g/mol
Exact Mass431.05
IUPAC NameN-propyl-2-thieno[3,2-d]pyrimidin-4-ylsulfanyl-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]acetamide
SMILESCCCN(Cc1nnc(-c2cccs2)o1)C(=O)CSc1ncnc2ccsc12
InChIInChI=1S/C18H17N5O2S3/c1-2-6-23(9-14-21-22-17(25-14)13-4-3-7-26-13)15(24)10-28-18-16-12(5-8-27-16)19-11-20-18/h3-5,7-8,11H,2,6,9-10H2,1H3
InChIKeySAPDNQFUFQGFME-UHFFFAOYSA-N
XLogP4.33
TPSA85.01 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.57
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

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2-(2-methylmorpholin-4-yl)-N-propyl-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]acetamide
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2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)-N-propyl-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]acetamide
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[2-oxo-2-[propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]ethyl] 2-methylbenzoate
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[2-oxo-2-[propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]ethyl] 3,5-dimethylbenzoate
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Frequently Asked Questions

What is the IUPAC name of N-propyl-2-thieno[3,2-d]pyrimidin-4-ylsulfanyl-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]acetamide?
The IUPAC name of N-propyl-2-thieno[3,2-d]pyrimidin-4-ylsulfanyl-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]acetamide (CID 24559077) is N-propyl-2-thieno[3,2-d]pyrimidin-4-ylsulfanyl-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]acetamide.
What is the SMILES notation for N-propyl-2-thieno[3,2-d]pyrimidin-4-ylsulfanyl-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]acetamide?
The canonical SMILES for N-propyl-2-thieno[3,2-d]pyrimidin-4-ylsulfanyl-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]acetamide is CCCN(Cc1nnc(-c2cccs2)o1)C(=O)CSc1ncnc2ccsc12.
What is the InChIKey of N-propyl-2-thieno[3,2-d]pyrimidin-4-ylsulfanyl-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]acetamide?
The InChIKey is SAPDNQFUFQGFME-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O2S3/c1-2-6-23(9-14-21-22-17(25-14)13-4-3-7-26-13)15(24)10-28-18-16-12(5-8-27-16)19-11-20-18/h3-5,7-8,11H,2,6,9-10H2,1H3.
What are the key properties of N-propyl-2-thieno[3,2-d]pyrimidin-4-ylsulfanyl-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]acetamide?
N-propyl-2-thieno[3,2-d]pyrimidin-4-ylsulfanyl-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]acetamide has a molecular weight of 431.57 g/mol, XLogP of 4.33, 8 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-2-thieno[3,2-d]pyrimidin-4-ylsulfanyl-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]acetamide is sourced from PubChem (CID 24559077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).