N-(2-methoxyethyl)-4-methyl-N-(pyrrolidin-2-ylmethyl)-1,3-thiazole-5-carboxamide

C13H21N3O2S — CID 106611726

IUPACN-(2-methoxyethyl)-4-methyl-N-(pyrrolidin-2-ylmethyl)-1,3-thiazole-5-carboxamide
SMILESCOCCN(CC1CCCN1)C(=O)c1scnc1C
InChIInChI=1S/C13H21N3O2S/c1-10-12(19-9-15-10)13(17)16(6-7-18-2)8-11-4-3-5-14-11/h9,11,14H,3-8H2,1-2H3
InChIKeyHTCPROJJHNLXHZ-UHFFFAOYSA-N
MW283.40 g/mol
LogP1.29
Rot. Bonds6

About N-(2-methoxyethyl)-4-methyl-N-(pyrrolidin-2-ylmethyl)-1,3-thiazole-5-carboxamide

N-(2-methoxyethyl)-4-methyl-N-(pyrrolidin-2-ylmethyl)-1,3-thiazole-5-carboxamide (PubChem CID 106611726) has the molecular formula C13H21N3O2S and a molecular weight of 283.40 g/mol. Its IUPAC name is N-(2-methoxyethyl)-4-methyl-N-(pyrrolidin-2-ylmethyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-4-methyl-N-(pyrrolidin-2-ylmethyl)-1,3-thiazole-5-carboxamide
PubChem CID106611726
Molecular FormulaC13H21N3O2S
Molecular Weight283.40 g/mol
Exact Mass283.14
IUPAC NameN-(2-methoxyethyl)-4-methyl-N-(pyrrolidin-2-ylmethyl)-1,3-thiazole-5-carboxamide
SMILESCOCCN(CC1CCCN1)C(=O)c1scnc1C
InChIInChI=1S/C13H21N3O2S/c1-10-12(19-9-15-10)13(17)16(6-7-18-2)8-11-4-3-5-14-11/h9,11,14H,3-8H2,1-2H3
InChIKeyHTCPROJJHNLXHZ-UHFFFAOYSA-N
XLogP1.29
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-chloro-N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)thiophene-2-carboxamide
CID 106611605
N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)pyrazine-2-carboxamide
CID 106611769
N-(2-methoxyethyl)-5-methyl-N-(pyrrolidin-2-ylmethyl)furan-3-carboxamide
CID 106611455
N-(2-methoxyethyl)-3-methyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106611571
4-methyl-N-(2-pyrrolidin-2-ylethyl)-1,3-thiazole-5-carboxamide
CID 114793983
2-ethyl-N-(2-methoxyethyl)-5-methyl-N-(pyrrolidin-2-ylmethyl)pyrazole-3-carboxamide
CID 106611603
2,6-dichloro-N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106611526
N-(2-methoxyethyl)-2-oxo-N-(pyrrolidin-2-ylmethyl)-1,3-dihydroimidazole-4-carboxamide
CID 106611549
2-fluoro-N-(2-methoxyethyl)-5-methyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106611823
N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)propanamide
CID 106611566
N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)butanamide
CID 106611388
2-chloro-5-hydroxy-N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106611521

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-4-methyl-N-(pyrrolidin-2-ylmethyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-4-methyl-N-(pyrrolidin-2-ylmethyl)-1,3-thiazole-5-carboxamide (CID 106611726) is N-(2-methoxyethyl)-4-methyl-N-(pyrrolidin-2-ylmethyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-4-methyl-N-(pyrrolidin-2-ylmethyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-4-methyl-N-(pyrrolidin-2-ylmethyl)-1,3-thiazole-5-carboxamide is COCCN(CC1CCCN1)C(=O)c1scnc1C.
What is the InChIKey of N-(2-methoxyethyl)-4-methyl-N-(pyrrolidin-2-ylmethyl)-1,3-thiazole-5-carboxamide?
The InChIKey is HTCPROJJHNLXHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2S/c1-10-12(19-9-15-10)13(17)16(6-7-18-2)8-11-4-3-5-14-11/h9,11,14H,3-8H2,1-2H3.
What are the key properties of N-(2-methoxyethyl)-4-methyl-N-(pyrrolidin-2-ylmethyl)-1,3-thiazole-5-carboxamide?
N-(2-methoxyethyl)-4-methyl-N-(pyrrolidin-2-ylmethyl)-1,3-thiazole-5-carboxamide has a molecular weight of 283.40 g/mol, XLogP of 1.29, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-4-methyl-N-(pyrrolidin-2-ylmethyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 106611726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).