N-cyclopropyl-2-[[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(1,1-dioxothiolan-3-yl)acetamide

C16H20N4O4S3 — CID 24669928

IUPACN-cyclopropyl-2-[[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(1,1-dioxothiolan-3-yl)acetamide
SMILESCc1nc(C)c(-c2nnc(SCC(=O)N(C3CC3)C3CCS(=O)(=O)C3)o2)s1
InChIInChI=1S/C16H20N4O4S3/c1-9-14(26-10(2)17-9)15-18-19-16(24-15)25-7-13(21)20(11-3-4-11)12-5-6-27(22,23)8-12/h11-12H,3-8H2,1-2H3
InChIKeyVQNRHJYDUOOUMP-UHFFFAOYSA-N
MW428.56 g/mol
LogP2.08
Rot. Bonds6

About N-cyclopropyl-2-[[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(1,1-dioxothiolan-3-yl)acetamide

N-cyclopropyl-2-[[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(1,1-dioxothiolan-3-yl)acetamide (PubChem CID 24669928) has the molecular formula C16H20N4O4S3 and a molecular weight of 428.56 g/mol. Its IUPAC name is N-cyclopropyl-2-[[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(1,1-dioxothiolan-3-yl)acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(1,1-dioxothiolan-3-yl)acetamide
PubChem CID24669928
Molecular FormulaC16H20N4O4S3
Molecular Weight428.56 g/mol
Exact Mass428.06
IUPAC NameN-cyclopropyl-2-[[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(1,1-dioxothiolan-3-yl)acetamide
SMILESCc1nc(C)c(-c2nnc(SCC(=O)N(C3CC3)C3CCS(=O)(=O)C3)o2)s1
InChIInChI=1S/C16H20N4O4S3/c1-9-14(26-10(2)17-9)15-18-19-16(24-15)25-7-13(21)20(11-3-4-11)12-5-6-27(22,23)8-12/h11-12H,3-8H2,1-2H3
InChIKeyVQNRHJYDUOOUMP-UHFFFAOYSA-N
XLogP2.08
TPSA106.26 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.56
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(1,1-dioxothiolan-3-yl)acetamide?
The IUPAC name of N-cyclopropyl-2-[[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(1,1-dioxothiolan-3-yl)acetamide (CID 24669928) is N-cyclopropyl-2-[[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(1,1-dioxothiolan-3-yl)acetamide.
What is the SMILES notation for N-cyclopropyl-2-[[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(1,1-dioxothiolan-3-yl)acetamide?
The canonical SMILES for N-cyclopropyl-2-[[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(1,1-dioxothiolan-3-yl)acetamide is Cc1nc(C)c(-c2nnc(SCC(=O)N(C3CC3)C3CCS(=O)(=O)C3)o2)s1.
What is the InChIKey of N-cyclopropyl-2-[[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(1,1-dioxothiolan-3-yl)acetamide?
The InChIKey is VQNRHJYDUOOUMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O4S3/c1-9-14(26-10(2)17-9)15-18-19-16(24-15)25-7-13(21)20(11-3-4-11)12-5-6-27(22,23)8-12/h11-12H,3-8H2,1-2H3.
What are the key properties of N-cyclopropyl-2-[[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(1,1-dioxothiolan-3-yl)acetamide?
N-cyclopropyl-2-[[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(1,1-dioxothiolan-3-yl)acetamide has a molecular weight of 428.56 g/mol, XLogP of 2.08, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(1,1-dioxothiolan-3-yl)acetamide is sourced from PubChem (CID 24669928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).