(2-ethyl-3-methylpyrrolidin-1-yl)-[3-(1,3-thiazol-5-ylmethylamino)phenyl]methanone

C18H23N3OS — CID 136561694

IUPAC(2-ethyl-3-methylpyrrolidin-1-yl)-[3-(1,3-thiazol-5-ylmethylamino)phenyl]methanone
SMILESCCC1C(C)CCN1C(=O)c1cccc(NCc2cncs2)c1
InChIInChI=1S/C18H23N3OS/c1-3-17-13(2)7-8-21(17)18(22)14-5-4-6-15(9-14)20-11-16-10-19-12-23-16/h4-6,9-10,12-13,17,20H,3,7-8,11H2,1-2H3
InChIKeySYIADDYZTGYHRA-UHFFFAOYSA-N
MW329.47 g/mol
LogP4.02
Rot. Bonds5

About (2-ethyl-3-methylpyrrolidin-1-yl)-[3-(1,3-thiazol-5-ylmethylamino)phenyl]methanone

(2-ethyl-3-methylpyrrolidin-1-yl)-[3-(1,3-thiazol-5-ylmethylamino)phenyl]methanone (PubChem CID 136561694) has the molecular formula C18H23N3OS and a molecular weight of 329.47 g/mol. Its IUPAC name is (2-ethyl-3-methylpyrrolidin-1-yl)-[3-(1,3-thiazol-5-ylmethylamino)phenyl]methanone.

Molecular Properties

Compound Name(2-ethyl-3-methylpyrrolidin-1-yl)-[3-(1,3-thiazol-5-ylmethylamino)phenyl]methanone
PubChem CID136561694
Molecular FormulaC18H23N3OS
Molecular Weight329.47 g/mol
Exact Mass329.16
IUPAC Name(2-ethyl-3-methylpyrrolidin-1-yl)-[3-(1,3-thiazol-5-ylmethylamino)phenyl]methanone
SMILESCCC1C(C)CCN1C(=O)c1cccc(NCc2cncs2)c1
InChIInChI=1S/C18H23N3OS/c1-3-17-13(2)7-8-21(17)18(22)14-5-4-6-15(9-14)20-11-16-10-19-12-23-16/h4-6,9-10,12-13,17,20H,3,7-8,11H2,1-2H3
InChIKeySYIADDYZTGYHRA-UHFFFAOYSA-N
XLogP4.02
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.47
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methyl-5-(methylcarbamoyl)phenyl)-2-(((1R)-1-methylpropyl)amino)-1,3-thiazole-5-carboxamide
CID 11427975
methyl N-[3-[(R)-[4-(diethylcarbamoyl)phenyl]-[4-(1,3-thiazol-5-ylmethyl)piperazin-1-yl]methyl]phenyl]carbamate
CID 10006938
2-(Thiazol-5-ylmethyl)-1H-indazol-3(2H)-one
CID 14898745
2-(isopropylamino)-N-(2-methyl-5-(methylcarbamoyl)phenyl)thiazole-5-carboxamide
CID 11256035
(S)-N-(1-(biphenyl-3-ylamino)-1,8-dioxononan-2-yl)thiazole-5-carboxamide
CID 44418072
3-(2-ethylbutanoylamino)-N-(1,3-thiazol-2-yl)benzamide
CID 977043
(S)-2-(sec-butylamino)-N-(2-methyl-5-(methylcarbamoyl)phenyl)thiazole-5-carboxamide
CID 11268003
N-(5-(ethylcarbamoyl)-2-methylphenyl)-2-(isopropylamino)thiazole-5-carboxamide
CID 11439407
2-chloro-N-((1R,2S)-2-(4-(2-oxopyridin-1(2H)-yl)benzamido)cyclopentyl)thiazole-5-carboxamide
CID 44432498
N-(4-{2-oxo-2-[3-(1,3-thiazol-2-yl)pyrrolidin-1-yl]ethyl}phenyl)acetamide
CID 122243076
N-phenyl-3-[1-(1,3-thiazol-5-ylcarbonyl)-4-piperidinyl]propanamide
CID 24817156
N-(3-methylphenyl)-3-[1-(1,3-thiazol-2-ylmethyl)piperidin-4-yl]propanamide
CID 24817466

Frequently Asked Questions

What is the IUPAC name of (2-ethyl-3-methylpyrrolidin-1-yl)-[3-(1,3-thiazol-5-ylmethylamino)phenyl]methanone?
The IUPAC name of (2-ethyl-3-methylpyrrolidin-1-yl)-[3-(1,3-thiazol-5-ylmethylamino)phenyl]methanone (CID 136561694) is (2-ethyl-3-methylpyrrolidin-1-yl)-[3-(1,3-thiazol-5-ylmethylamino)phenyl]methanone.
What is the SMILES notation for (2-ethyl-3-methylpyrrolidin-1-yl)-[3-(1,3-thiazol-5-ylmethylamino)phenyl]methanone?
The canonical SMILES for (2-ethyl-3-methylpyrrolidin-1-yl)-[3-(1,3-thiazol-5-ylmethylamino)phenyl]methanone is CCC1C(C)CCN1C(=O)c1cccc(NCc2cncs2)c1.
What is the InChIKey of (2-ethyl-3-methylpyrrolidin-1-yl)-[3-(1,3-thiazol-5-ylmethylamino)phenyl]methanone?
The InChIKey is SYIADDYZTGYHRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3OS/c1-3-17-13(2)7-8-21(17)18(22)14-5-4-6-15(9-14)20-11-16-10-19-12-23-16/h4-6,9-10,12-13,17,20H,3,7-8,11H2,1-2H3.
What are the key properties of (2-ethyl-3-methylpyrrolidin-1-yl)-[3-(1,3-thiazol-5-ylmethylamino)phenyl]methanone?
(2-ethyl-3-methylpyrrolidin-1-yl)-[3-(1,3-thiazol-5-ylmethylamino)phenyl]methanone has a molecular weight of 329.47 g/mol, XLogP of 4.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethyl-3-methylpyrrolidin-1-yl)-[3-(1,3-thiazol-5-ylmethylamino)phenyl]methanone is sourced from PubChem (CID 136561694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).