N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-methylpyrrolidine-3-carboxamide

C13H21N3OS — CID 112701958

IUPACN-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-methylpyrrolidine-3-carboxamide
SMILESCCc1cnc(C(C)NC(=O)C2(C)CCNC2)s1
InChIInChI=1S/C13H21N3OS/c1-4-10-7-15-11(18-10)9(2)16-12(17)13(3)5-6-14-8-13/h7,9,14H,4-6,8H2,1-3H3,(H,16,17)
InChIKeyRQOHIUFGCYSMJJ-UHFFFAOYSA-N
MW267.40 g/mol
LogP1.88
Rot. Bonds4

About N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-methylpyrrolidine-3-carboxamide

N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-methylpyrrolidine-3-carboxamide (PubChem CID 112701958) has the molecular formula C13H21N3OS and a molecular weight of 267.40 g/mol. Its IUPAC name is N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-methylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-methylpyrrolidine-3-carboxamide
PubChem CID112701958
Molecular FormulaC13H21N3OS
Molecular Weight267.40 g/mol
Exact Mass267.14
IUPAC NameN-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-methylpyrrolidine-3-carboxamide
SMILESCCc1cnc(C(C)NC(=O)C2(C)CCNC2)s1
InChIInChI=1S/C13H21N3OS/c1-4-10-7-15-11(18-10)9(2)16-12(17)13(3)5-6-14-8-13/h7,9,14H,4-6,8H2,1-3H3,(H,16,17)
InChIKeyRQOHIUFGCYSMJJ-UHFFFAOYSA-N
XLogP1.88
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.40
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-amino-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]cyclohexane-1-carboxamide
CID 115734764
1-cyano-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]cyclopropane-1-carboxamide
CID 113387290
1-cyano-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]cyclopentane-1-carboxamide
CID 112696825
N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2-piperidin-4-ylsulfanylacetamide
CID 114627994
N-[(1R)-1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2-piperidin-4-ylacetamide
CID 124576184
2-(azetidin-3-yl)-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]acetamide
CID 113267211
N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-4-fluorobenzamide
CID 113251187
2-(1-aminocyclobutyl)-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]acetamide
CID 112701971
1-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-[(2S)-2-hydroxypropyl]urea
CID 102563246
(2R)-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]pyrrolidine-2-carboxamide
CID 113264319
3-methyl-N-[(1S)-1-phenylethyl]pyrrolidine-3-carboxamide
CID 78952958
3-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrrolidine-3-carboxamide;dihydrochloride
CID 119861848

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-methylpyrrolidine-3-carboxamide?
The IUPAC name of N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-methylpyrrolidine-3-carboxamide (CID 112701958) is N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-methylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-methylpyrrolidine-3-carboxamide?
The canonical SMILES for N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-methylpyrrolidine-3-carboxamide is CCc1cnc(C(C)NC(=O)C2(C)CCNC2)s1.
What is the InChIKey of N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-methylpyrrolidine-3-carboxamide?
The InChIKey is RQOHIUFGCYSMJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3OS/c1-4-10-7-15-11(18-10)9(2)16-12(17)13(3)5-6-14-8-13/h7,9,14H,4-6,8H2,1-3H3,(H,16,17).
What are the key properties of N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-methylpyrrolidine-3-carboxamide?
N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-methylpyrrolidine-3-carboxamide has a molecular weight of 267.40 g/mol, XLogP of 1.88, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-methylpyrrolidine-3-carboxamide is sourced from PubChem (CID 112701958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).