2-(2-ethylsulfanyl-1,3-thiazol-4-yl)-N-(2-pyridin-3-yl-2-pyrrolidin-1-ylethyl)acetamide

C18H24N4OS2 — CID 50967901

IUPAC2-(2-ethylsulfanyl-1,3-thiazol-4-yl)-N-(2-pyridin-3-yl-2-pyrrolidin-1-ylethyl)acetamide
SMILESCCSc1nc(CC(=O)NCC(c2cccnc2)N2CCCC2)cs1
InChIInChI=1S/C18H24N4OS2/c1-2-24-18-21-15(13-25-18)10-17(23)20-12-16(22-8-3-4-9-22)14-6-5-7-19-11-14/h5-7,11,13,16H,2-4,8-10,12H2,1H3,(H,20,23)
InChIKeyDQKIPULUHDINGG-UHFFFAOYSA-N
MW376.55 g/mol
LogP3.15
Rot. Bonds8

About 2-(2-ethylsulfanyl-1,3-thiazol-4-yl)-N-(2-pyridin-3-yl-2-pyrrolidin-1-ylethyl)acetamide

2-(2-ethylsulfanyl-1,3-thiazol-4-yl)-N-(2-pyridin-3-yl-2-pyrrolidin-1-ylethyl)acetamide (PubChem CID 50967901) has the molecular formula C18H24N4OS2 and a molecular weight of 376.55 g/mol. Its IUPAC name is 2-(2-ethylsulfanyl-1,3-thiazol-4-yl)-N-(2-pyridin-3-yl-2-pyrrolidin-1-ylethyl)acetamide.

Molecular Properties

Compound Name2-(2-ethylsulfanyl-1,3-thiazol-4-yl)-N-(2-pyridin-3-yl-2-pyrrolidin-1-ylethyl)acetamide
PubChem CID50967901
Molecular FormulaC18H24N4OS2
Molecular Weight376.55 g/mol
Exact Mass376.14
IUPAC Name2-(2-ethylsulfanyl-1,3-thiazol-4-yl)-N-(2-pyridin-3-yl-2-pyrrolidin-1-ylethyl)acetamide
SMILESCCSc1nc(CC(=O)NCC(c2cccnc2)N2CCCC2)cs1
InChIInChI=1S/C18H24N4OS2/c1-2-24-18-21-15(13-25-18)10-17(23)20-12-16(22-8-3-4-9-22)14-6-5-7-19-11-14/h5-7,11,13,16H,2-4,8-10,12H2,1H3,(H,20,23)
InChIKeyDQKIPULUHDINGG-UHFFFAOYSA-N
XLogP3.15
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.55
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(2-ethylsulfanyl-1,3-thiazol-4-yl)-N-(2-pyridin-3-yl-2-pyrrolidin-1-ylethyl)acetamide with MolForge

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Related Compounds

N-[(2R)-2-piperidin-1-yl-2-pyridin-3-ylethyl]-2-propyl-1,3-thiazole-4-carboxamide
CID 97145393
N-(2-piperidin-1-yl-2-pyridin-3-ylethyl)-2-propyl-1,3-thiazole-4-carboxamide
CID 72916413
2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]-N-(2-phenyl-2-pyrrolidin-1-ylethyl)acetamide
CID 112809788
N',N'-diethyl-N-(2-pyridin-3-yl-2-pyrrolidin-1-ylethyl)pentanediamide
CID 166229779
N'-(2-pyridin-3-yl-2-pyrrolidin-1-ylethyl)pentanediamide
CID 166227053
2-ethyl-4-methyl-N-(2-piperidin-1-yl-2-pyridin-3-ylethyl)-1,3-thiazole-5-carboxamide
CID 74246411
3,3-dicyclopropyl-N-[(2R)-2-pyridin-3-yl-2-pyrrolidin-1-ylethyl]propanamide
CID 97237164
2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[(2S)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]acetamide
CID 34679200
5-[(2-piperidin-1-yl-2-pyridin-3-ylethyl)carbamoyl]thiophene-2-carboxylic acid
CID 74242695
N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]acetamide
CID 40798872
N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 95237805
1-propyl-N-(2-pyridin-3-yl-2-pyrrolidin-1-ylethyl)pyrazole-4-carboxamide
CID 166207360

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylsulfanyl-1,3-thiazol-4-yl)-N-(2-pyridin-3-yl-2-pyrrolidin-1-ylethyl)acetamide?
The IUPAC name of 2-(2-ethylsulfanyl-1,3-thiazol-4-yl)-N-(2-pyridin-3-yl-2-pyrrolidin-1-ylethyl)acetamide (CID 50967901) is 2-(2-ethylsulfanyl-1,3-thiazol-4-yl)-N-(2-pyridin-3-yl-2-pyrrolidin-1-ylethyl)acetamide.
What is the SMILES notation for 2-(2-ethylsulfanyl-1,3-thiazol-4-yl)-N-(2-pyridin-3-yl-2-pyrrolidin-1-ylethyl)acetamide?
The canonical SMILES for 2-(2-ethylsulfanyl-1,3-thiazol-4-yl)-N-(2-pyridin-3-yl-2-pyrrolidin-1-ylethyl)acetamide is CCSc1nc(CC(=O)NCC(c2cccnc2)N2CCCC2)cs1.
What is the InChIKey of 2-(2-ethylsulfanyl-1,3-thiazol-4-yl)-N-(2-pyridin-3-yl-2-pyrrolidin-1-ylethyl)acetamide?
The InChIKey is DQKIPULUHDINGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4OS2/c1-2-24-18-21-15(13-25-18)10-17(23)20-12-16(22-8-3-4-9-22)14-6-5-7-19-11-14/h5-7,11,13,16H,2-4,8-10,12H2,1H3,(H,20,23).
What are the key properties of 2-(2-ethylsulfanyl-1,3-thiazol-4-yl)-N-(2-pyridin-3-yl-2-pyrrolidin-1-ylethyl)acetamide?
2-(2-ethylsulfanyl-1,3-thiazol-4-yl)-N-(2-pyridin-3-yl-2-pyrrolidin-1-ylethyl)acetamide has a molecular weight of 376.55 g/mol, XLogP of 3.15, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylsulfanyl-1,3-thiazol-4-yl)-N-(2-pyridin-3-yl-2-pyrrolidin-1-ylethyl)acetamide is sourced from PubChem (CID 50967901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).