N-[1-(cyclopentanecarbonyl)pyrrolidin-3-yl]-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide

C16H23N3O2S2 — CID 102559757

IUPACN-[1-(cyclopentanecarbonyl)pyrrolidin-3-yl]-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide
SMILESCc1[nH]c(=S)sc1CC(=O)NC1CCN(C(=O)C2CCCC2)C1
InChIInChI=1S/C16H23N3O2S2/c1-10-13(23-16(22)17-10)8-14(20)18-12-6-7-19(9-12)15(21)11-4-2-3-5-11/h11-12H,2-9H2,1H3,(H,17,22)(H,18,20)
InChIKeyXZTNRDABVIBQTI-UHFFFAOYSA-N
MW353.51 g/mol
LogP2.56
Rot. Bonds4

About N-[1-(cyclopentanecarbonyl)pyrrolidin-3-yl]-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide

N-[1-(cyclopentanecarbonyl)pyrrolidin-3-yl]-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide (PubChem CID 102559757) has the molecular formula C16H23N3O2S2 and a molecular weight of 353.51 g/mol. Its IUPAC name is N-[1-(cyclopentanecarbonyl)pyrrolidin-3-yl]-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide.

Molecular Properties

Compound NameN-[1-(cyclopentanecarbonyl)pyrrolidin-3-yl]-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide
PubChem CID102559757
Molecular FormulaC16H23N3O2S2
Molecular Weight353.51 g/mol
Exact Mass353.12
IUPAC NameN-[1-(cyclopentanecarbonyl)pyrrolidin-3-yl]-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide
SMILESCc1[nH]c(=S)sc1CC(=O)NC1CCN(C(=O)C2CCCC2)C1
InChIInChI=1S/C16H23N3O2S2/c1-10-13(23-16(22)17-10)8-14(20)18-12-6-7-19(9-12)15(21)11-4-2-3-5-11/h11-12H,2-9H2,1H3,(H,17,22)(H,18,20)
InChIKeyXZTNRDABVIBQTI-UHFFFAOYSA-N
XLogP2.56
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.51
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

N-cyclopentyl-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide
CID 47125331
N-(1-methylpiperidin-4-yl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide
CID 47293453
N-[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]-2-hydroxyacetamide
CID 143286863
N-cyclopent-3-en-1-yl-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide
CID 103762330
2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)-1-pyrrolidin-1-ylethanone
CID 47128479
2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)-N-(1-oxothian-4-yl)acetamide
CID 104580826
N-[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]propanamide
CID 110871450
N-[(3S)-1-(cyclopentanecarbonyl)pyrrolidin-3-yl]-2-(2-hydroxyphenyl)acetamide
CID 97014157
N-[(3R)-1-(cyclopentanecarbonyl)pyrrolidin-3-yl]cyclopentanecarboxamide
CID 95051673
N-[(3R)-1-cyclohexyl-2-oxopyrrolidin-3-yl]-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide
CID 99695860
1-(3-ethylpyrrolidin-1-yl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)ethanone
CID 113253976
N-[1-(cyclobutanecarbonyl)pyrrolidin-3-yl]cyclopentanecarboxamide
CID 53016389

Frequently Asked Questions

What is the IUPAC name of N-[1-(cyclopentanecarbonyl)pyrrolidin-3-yl]-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide?
The IUPAC name of N-[1-(cyclopentanecarbonyl)pyrrolidin-3-yl]-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide (CID 102559757) is N-[1-(cyclopentanecarbonyl)pyrrolidin-3-yl]-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide.
What is the SMILES notation for N-[1-(cyclopentanecarbonyl)pyrrolidin-3-yl]-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide?
The canonical SMILES for N-[1-(cyclopentanecarbonyl)pyrrolidin-3-yl]-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide is Cc1[nH]c(=S)sc1CC(=O)NC1CCN(C(=O)C2CCCC2)C1.
What is the InChIKey of N-[1-(cyclopentanecarbonyl)pyrrolidin-3-yl]-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide?
The InChIKey is XZTNRDABVIBQTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2S2/c1-10-13(23-16(22)17-10)8-14(20)18-12-6-7-19(9-12)15(21)11-4-2-3-5-11/h11-12H,2-9H2,1H3,(H,17,22)(H,18,20).
What are the key properties of N-[1-(cyclopentanecarbonyl)pyrrolidin-3-yl]-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide?
N-[1-(cyclopentanecarbonyl)pyrrolidin-3-yl]-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide has a molecular weight of 353.51 g/mol, XLogP of 2.56, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(cyclopentanecarbonyl)pyrrolidin-3-yl]-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide is sourced from PubChem (CID 102559757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).