N-ethyl-2-methyl-N-(piperidin-3-ylmethyl)-1,3-thiazole-5-carboxamide

C13H21N3OS — CID 114031326

IUPACN-ethyl-2-methyl-N-(piperidin-3-ylmethyl)-1,3-thiazole-5-carboxamide
SMILESCCN(CC1CCCNC1)C(=O)c1cnc(C)s1
InChIInChI=1S/C13H21N3OS/c1-3-16(9-11-5-4-6-14-7-11)13(17)12-8-15-10(2)18-12/h8,11,14H,3-7,9H2,1-2H3
InChIKeyOECPUGVQWRXYEB-UHFFFAOYSA-N
MW267.40 g/mol
LogP1.91
Rot. Bonds4

About N-ethyl-2-methyl-N-(piperidin-3-ylmethyl)-1,3-thiazole-5-carboxamide

N-ethyl-2-methyl-N-(piperidin-3-ylmethyl)-1,3-thiazole-5-carboxamide (PubChem CID 114031326) has the molecular formula C13H21N3OS and a molecular weight of 267.40 g/mol. Its IUPAC name is N-ethyl-2-methyl-N-(piperidin-3-ylmethyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-ethyl-2-methyl-N-(piperidin-3-ylmethyl)-1,3-thiazole-5-carboxamide
PubChem CID114031326
Molecular FormulaC13H21N3OS
Molecular Weight267.40 g/mol
Exact Mass267.14
IUPAC NameN-ethyl-2-methyl-N-(piperidin-3-ylmethyl)-1,3-thiazole-5-carboxamide
SMILESCCN(CC1CCCNC1)C(=O)c1cnc(C)s1
InChIInChI=1S/C13H21N3OS/c1-3-16(9-11-5-4-6-14-7-11)13(17)12-8-15-10(2)18-12/h8,11,14H,3-7,9H2,1-2H3
InChIKeyOECPUGVQWRXYEB-UHFFFAOYSA-N
XLogP1.91
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.40
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-5-methyl-N-(piperidin-3-ylmethyl)pyridine-3-carboxamide
CID 106629522
1,3-diethyl-1-(piperidin-3-ylmethyl)urea
CID 106629944
N-ethyl-5-methyl-N-(piperidin-3-ylmethyl)furan-3-carboxamide
CID 106629294
N-ethyl-N-(piperidin-3-ylmethyl)propanamide
CID 106629408
N,4-diethyl-N-(piperidin-3-ylmethyl)thiadiazole-5-carboxamide
CID 106629440
3-chloro-N-ethyl-2-methyl-N-(piperidin-3-ylmethyl)benzamide
CID 107098424
N-(2-hydroxyethyl)-2-methyl-N-(pyrrolidin-2-ylmethyl)-1,3-thiazole-5-carboxamide
CID 114031322
5-chloro-N-ethyl-N-(piperidin-3-ylmethyl)furan-2-carboxamide
CID 106629633
5-chloro-N-(piperidin-3-ylmethyl)-N-propylthiophene-2-carboxamide
CID 106628225
N-ethyl-2-methoxy-5-methyl-N-(piperidin-3-ylmethyl)benzamide
CID 106629432
4-chloro-N-ethyl-3-methyl-N-(piperidin-3-ylmethyl)benzamide
CID 106629289
2-methyl-N-propyl-N-pyrrolidin-3-yl-1,3-thiazole-5-carboxamide;hydrochloride
CID 119533138

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methyl-N-(piperidin-3-ylmethyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of N-ethyl-2-methyl-N-(piperidin-3-ylmethyl)-1,3-thiazole-5-carboxamide (CID 114031326) is N-ethyl-2-methyl-N-(piperidin-3-ylmethyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-ethyl-2-methyl-N-(piperidin-3-ylmethyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-ethyl-2-methyl-N-(piperidin-3-ylmethyl)-1,3-thiazole-5-carboxamide is CCN(CC1CCCNC1)C(=O)c1cnc(C)s1.
What is the InChIKey of N-ethyl-2-methyl-N-(piperidin-3-ylmethyl)-1,3-thiazole-5-carboxamide?
The InChIKey is OECPUGVQWRXYEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3OS/c1-3-16(9-11-5-4-6-14-7-11)13(17)12-8-15-10(2)18-12/h8,11,14H,3-7,9H2,1-2H3.
What are the key properties of N-ethyl-2-methyl-N-(piperidin-3-ylmethyl)-1,3-thiazole-5-carboxamide?
N-ethyl-2-methyl-N-(piperidin-3-ylmethyl)-1,3-thiazole-5-carboxamide has a molecular weight of 267.40 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methyl-N-(piperidin-3-ylmethyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 114031326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).