(2R)-N-cyclopentyl-2-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methylsulfanyl]propanamide

C16H20N2OS3 — CID 95579076

IUPAC(2R)-N-cyclopentyl-2-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methylsulfanyl]propanamide
SMILESC[C@@H](SCc1csc(-c2cccs2)n1)C(=O)NC1CCCC1
InChIInChI=1S/C16H20N2OS3/c1-11(15(19)17-12-5-2-3-6-12)21-9-13-10-22-16(18-13)14-7-4-8-20-14/h4,7-8,10-12H,2-3,5-6,9H2,1H3,(H,17,19)/t11-/m1/s1
InChIKeyZHHZCDHRABHVDE-LLVKDONJSA-N
MW352.55 g/mol
LogP4.55
Rot. Bonds6

About (2R)-N-cyclopentyl-2-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methylsulfanyl]propanamide

(2R)-N-cyclopentyl-2-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methylsulfanyl]propanamide (PubChem CID 95579076) has the molecular formula C16H20N2OS3 and a molecular weight of 352.55 g/mol. Its IUPAC name is (2R)-N-cyclopentyl-2-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methylsulfanyl]propanamide.

Molecular Properties

Compound Name(2R)-N-cyclopentyl-2-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methylsulfanyl]propanamide
PubChem CID95579076
Molecular FormulaC16H20N2OS3
Molecular Weight352.55 g/mol
Exact Mass352.07
IUPAC Name(2R)-N-cyclopentyl-2-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methylsulfanyl]propanamide
SMILESC[C@@H](SCc1csc(-c2cccs2)n1)C(=O)NC1CCCC1
InChIInChI=1S/C16H20N2OS3/c1-11(15(19)17-12-5-2-3-6-12)21-9-13-10-22-16(18-13)14-7-4-8-20-14/h4,7-8,10-12H,2-3,5-6,9H2,1H3,(H,17,19)/t11-/m1/s1
InChIKeyZHHZCDHRABHVDE-LLVKDONJSA-N
XLogP4.55
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.55
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methylsulfanyl]propanamide
CID 95579077
N-cyclopentyl-2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]propanamide
CID 60541860
N-cyclohexyl-2-[[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]propanamide
CID 60542126
N-cyclopropyl-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
CID 27537384
[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetate
CID 8505297
N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]cyclohexanecarboxamide
CID 2738811
N-(1,1-dioxothiolan-3-yl)-2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylsulfanyl]propanamide
CID 55570614
2-methyl-3-(2-thiophen-2-yl-1,3-thiazol-4-yl)propanoic acid
CID 116889272
(2R)-1-N-cyclohexyl-2-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]pyrrolidine-1,2-dicarboxamide
CID 46385745
[(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetate
CID 8602963
(2R)-N-cyclopentyl-2-[(4-oxo-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanyl]propanamide
CID 7247132
(2S)-N-cyclopentyl-2-[(2-fluorophenyl)methylsulfanyl]propanamide
CID 95579029

Frequently Asked Questions

What is the IUPAC name of (2R)-N-cyclopentyl-2-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methylsulfanyl]propanamide?
The IUPAC name of (2R)-N-cyclopentyl-2-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methylsulfanyl]propanamide (CID 95579076) is (2R)-N-cyclopentyl-2-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methylsulfanyl]propanamide.
What is the SMILES notation for (2R)-N-cyclopentyl-2-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methylsulfanyl]propanamide?
The canonical SMILES for (2R)-N-cyclopentyl-2-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methylsulfanyl]propanamide is C[C@@H](SCc1csc(-c2cccs2)n1)C(=O)NC1CCCC1.
What is the InChIKey of (2R)-N-cyclopentyl-2-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methylsulfanyl]propanamide?
The InChIKey is ZHHZCDHRABHVDE-LLVKDONJSA-N. The full InChI is InChI=1S/C16H20N2OS3/c1-11(15(19)17-12-5-2-3-6-12)21-9-13-10-22-16(18-13)14-7-4-8-20-14/h4,7-8,10-12H,2-3,5-6,9H2,1H3,(H,17,19)/t11-/m1/s1.
What are the key properties of (2R)-N-cyclopentyl-2-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methylsulfanyl]propanamide?
(2R)-N-cyclopentyl-2-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methylsulfanyl]propanamide has a molecular weight of 352.55 g/mol, XLogP of 4.55, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-cyclopentyl-2-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methylsulfanyl]propanamide is sourced from PubChem (CID 95579076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).