N-(oxolan-2-ylmethyl)-2-[[5-(4-propan-2-ylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide

C18H24N4O2S2 — CID 3465309

IUPACN-(oxolan-2-ylmethyl)-2-[[5-(4-propan-2-ylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
SMILESCC(C)c1ccc(Nc2nnc(SCC(=O)NCC3CCCO3)s2)cc1
InChIInChI=1S/C18H24N4O2S2/c1-12(2)13-5-7-14(8-6-13)20-17-21-22-18(26-17)25-11-16(23)19-10-15-4-3-9-24-15/h5-8,12,15H,3-4,9-11H2,1-2H3,(H,19,23)(H,20,21)
InChIKeyCKGYUECDDQOWER-UHFFFAOYSA-N
MW392.55 g/mol
LogP3.79
Rot. Bonds8

About N-(oxolan-2-ylmethyl)-2-[[5-(4-propan-2-ylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide

N-(oxolan-2-ylmethyl)-2-[[5-(4-propan-2-ylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide (PubChem CID 3465309) has the molecular formula C18H24N4O2S2 and a molecular weight of 392.55 g/mol. Its IUPAC name is N-(oxolan-2-ylmethyl)-2-[[5-(4-propan-2-ylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-(oxolan-2-ylmethyl)-2-[[5-(4-propan-2-ylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
PubChem CID3465309
Molecular FormulaC18H24N4O2S2
Molecular Weight392.55 g/mol
Exact Mass392.13
IUPAC NameN-(oxolan-2-ylmethyl)-2-[[5-(4-propan-2-ylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
SMILESCC(C)c1ccc(Nc2nnc(SCC(=O)NCC3CCCO3)s2)cc1
InChIInChI=1S/C18H24N4O2S2/c1-12(2)13-5-7-14(8-6-13)20-17-21-22-18(26-17)25-11-16(23)19-10-15-4-3-9-24-15/h5-8,12,15H,3-4,9-11H2,1-2H3,(H,19,23)(H,20,21)
InChIKeyCKGYUECDDQOWER-UHFFFAOYSA-N
XLogP3.79
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.55
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(oxolan-2-ylmethyl)-2-[[5-(4-propan-2-ylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide?
The IUPAC name of N-(oxolan-2-ylmethyl)-2-[[5-(4-propan-2-ylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide (CID 3465309) is N-(oxolan-2-ylmethyl)-2-[[5-(4-propan-2-ylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide.
What is the SMILES notation for N-(oxolan-2-ylmethyl)-2-[[5-(4-propan-2-ylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide?
The canonical SMILES for N-(oxolan-2-ylmethyl)-2-[[5-(4-propan-2-ylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide is CC(C)c1ccc(Nc2nnc(SCC(=O)NCC3CCCO3)s2)cc1.
What is the InChIKey of N-(oxolan-2-ylmethyl)-2-[[5-(4-propan-2-ylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide?
The InChIKey is CKGYUECDDQOWER-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2S2/c1-12(2)13-5-7-14(8-6-13)20-17-21-22-18(26-17)25-11-16(23)19-10-15-4-3-9-24-15/h5-8,12,15H,3-4,9-11H2,1-2H3,(H,19,23)(H,20,21).
What are the key properties of N-(oxolan-2-ylmethyl)-2-[[5-(4-propan-2-ylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide?
N-(oxolan-2-ylmethyl)-2-[[5-(4-propan-2-ylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide has a molecular weight of 392.55 g/mol, XLogP of 3.79, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-2-ylmethyl)-2-[[5-(4-propan-2-ylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide is sourced from PubChem (CID 3465309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).