(2R)-N-cyclopropyl-2-phenyl-2-[(5-pyrrolidin-1-yl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide

C17H20N4OS2 — CID 94458856

IUPAC(2R)-N-cyclopropyl-2-phenyl-2-[(5-pyrrolidin-1-yl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
SMILESO=C(NC1CC1)[C@H](Sc1nnc(N2CCCC2)s1)c1ccccc1
InChIInChI=1S/C17H20N4OS2/c22-15(18-13-8-9-13)14(12-6-2-1-3-7-12)23-17-20-19-16(24-17)21-10-4-5-11-21/h1-3,6-7,13-14H,4-5,8-11H2,(H,18,22)/t14-/m1/s1
InChIKeyRAHLIBYFCZUJLV-CQSZACIVSA-N
MW360.51 g/mol
LogP3.25
Rot. Bonds6

About (2R)-N-cyclopropyl-2-phenyl-2-[(5-pyrrolidin-1-yl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide

(2R)-N-cyclopropyl-2-phenyl-2-[(5-pyrrolidin-1-yl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide (PubChem CID 94458856) has the molecular formula C17H20N4OS2 and a molecular weight of 360.51 g/mol. Its IUPAC name is (2R)-N-cyclopropyl-2-phenyl-2-[(5-pyrrolidin-1-yl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound Name(2R)-N-cyclopropyl-2-phenyl-2-[(5-pyrrolidin-1-yl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
PubChem CID94458856
Molecular FormulaC17H20N4OS2
Molecular Weight360.51 g/mol
Exact Mass360.11
IUPAC Name(2R)-N-cyclopropyl-2-phenyl-2-[(5-pyrrolidin-1-yl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
SMILESO=C(NC1CC1)[C@H](Sc1nnc(N2CCCC2)s1)c1ccccc1
InChIInChI=1S/C17H20N4OS2/c22-15(18-13-8-9-13)14(12-6-2-1-3-7-12)23-17-20-19-16(24-17)21-10-4-5-11-21/h1-3,6-7,13-14H,4-5,8-11H2,(H,18,22)/t14-/m1/s1
InChIKeyRAHLIBYFCZUJLV-CQSZACIVSA-N
XLogP3.25
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.51
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-cyclopropyl-2-phenyl-2-[(5-pyrrolidin-1-yl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide?
The IUPAC name of (2R)-N-cyclopropyl-2-phenyl-2-[(5-pyrrolidin-1-yl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide (CID 94458856) is (2R)-N-cyclopropyl-2-phenyl-2-[(5-pyrrolidin-1-yl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide.
What is the SMILES notation for (2R)-N-cyclopropyl-2-phenyl-2-[(5-pyrrolidin-1-yl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide?
The canonical SMILES for (2R)-N-cyclopropyl-2-phenyl-2-[(5-pyrrolidin-1-yl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide is O=C(NC1CC1)[C@H](Sc1nnc(N2CCCC2)s1)c1ccccc1.
What is the InChIKey of (2R)-N-cyclopropyl-2-phenyl-2-[(5-pyrrolidin-1-yl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide?
The InChIKey is RAHLIBYFCZUJLV-CQSZACIVSA-N. The full InChI is InChI=1S/C17H20N4OS2/c22-15(18-13-8-9-13)14(12-6-2-1-3-7-12)23-17-20-19-16(24-17)21-10-4-5-11-21/h1-3,6-7,13-14H,4-5,8-11H2,(H,18,22)/t14-/m1/s1.
What are the key properties of (2R)-N-cyclopropyl-2-phenyl-2-[(5-pyrrolidin-1-yl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide?
(2R)-N-cyclopropyl-2-phenyl-2-[(5-pyrrolidin-1-yl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide has a molecular weight of 360.51 g/mol, XLogP of 3.25, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-cyclopropyl-2-phenyl-2-[(5-pyrrolidin-1-yl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 94458856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).