N-ethyl-N-[4-[[2-(2-methylphenyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide

C19H25N3OS — CID 47054143

IUPACN-ethyl-N-[4-[[2-(2-methylphenyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCCN(C(C)=O)c1nc(CN2CCCC2c2ccccc2C)cs1
InChIInChI=1S/C19H25N3OS/c1-4-22(15(3)23)19-20-16(13-24-19)12-21-11-7-10-18(21)17-9-6-5-8-14(17)2/h5-6,8-9,13,18H,4,7,10-12H2,1-3H3
InChIKeySOCSJKHAULOLBS-UHFFFAOYSA-N
MW343.50 g/mol
LogP4.16
Rot. Bonds5

About N-ethyl-N-[4-[[2-(2-methylphenyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide

N-ethyl-N-[4-[[2-(2-methylphenyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 47054143) has the molecular formula C19H25N3OS and a molecular weight of 343.50 g/mol. Its IUPAC name is N-ethyl-N-[4-[[2-(2-methylphenyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-ethyl-N-[4-[[2-(2-methylphenyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
PubChem CID47054143
Molecular FormulaC19H25N3OS
Molecular Weight343.50 g/mol
Exact Mass343.17
IUPAC NameN-ethyl-N-[4-[[2-(2-methylphenyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCCN(C(C)=O)c1nc(CN2CCCC2c2ccccc2C)cs1
InChIInChI=1S/C19H25N3OS/c1-4-22(15(3)23)19-20-16(13-24-19)12-21-11-7-10-18(21)17-9-6-5-8-14(17)2/h5-6,8-9,13,18H,4,7,10-12H2,1-3H3
InChIKeySOCSJKHAULOLBS-UHFFFAOYSA-N
XLogP4.16
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.50
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-N-[4-[[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 95570889
N-[4-[(4-aminopiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-N-ethylacetamide
CID 43556565
N-[4-[(3,4-dihydroxypyrrolidin-1-yl)methyl]-1,3-thiazol-2-yl]-N-ethylacetamide
CID 106672998
N-ethyl-N-[4-[[(3S)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 97028668
N-[4-[[3-(aminomethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]-N-ethylacetamide
CID 62062023
N-(2-ethylphenyl)-N-[4-[[2-(3-methoxyphenyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 78835170
N-[4-[[(2R)-2-(4-methoxyphenyl)azepan-1-yl]methyl]-1,3-thiazol-2-yl]-N-phenylacetamide
CID 40986377
N-[4-[[(2S)-2-(5-ethyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]-N-methylacetamide
CID 95781197
2-ethyl-4-[(2-phenylpyrrolidin-1-yl)methyl]-1,3-thiazole
CID 134050920
N-ethyl-N-[4-[[(2-hydroxycyclohexyl)-methylamino]methyl]-1,3-thiazol-2-yl]acetamide
CID 102636268
N-ethyl-N-[4-[(3-hydroxy-3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide
CID 115874190
N-ethyl-N-[4-[[4-(thiophene-3-carbonyl)piperazin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 47054184

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[4-[[2-(2-methylphenyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-ethyl-N-[4-[[2-(2-methylphenyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide (CID 47054143) is N-ethyl-N-[4-[[2-(2-methylphenyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-ethyl-N-[4-[[2-(2-methylphenyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-ethyl-N-[4-[[2-(2-methylphenyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide is CCN(C(C)=O)c1nc(CN2CCCC2c2ccccc2C)cs1.
What is the InChIKey of N-ethyl-N-[4-[[2-(2-methylphenyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is SOCSJKHAULOLBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3OS/c1-4-22(15(3)23)19-20-16(13-24-19)12-21-11-7-10-18(21)17-9-6-5-8-14(17)2/h5-6,8-9,13,18H,4,7,10-12H2,1-3H3.
What are the key properties of N-ethyl-N-[4-[[2-(2-methylphenyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
N-ethyl-N-[4-[[2-(2-methylphenyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 343.50 g/mol, XLogP of 4.16, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[4-[[2-(2-methylphenyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 47054143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).