(3-ethylpiperidin-1-yl)-[3-methyl-5-(methylamino)-1,2-thiazol-4-yl]methanone

C13H21N3OS — CID 56812347

IUPAC(3-ethylpiperidin-1-yl)-[3-methyl-5-(methylamino)-1,2-thiazol-4-yl]methanone
SMILESCCC1CCCN(C(=O)c2c(C)nsc2NC)C1
InChIInChI=1S/C13H21N3OS/c1-4-10-6-5-7-16(8-10)13(17)11-9(2)15-18-12(11)14-3/h10,14H,4-8H2,1-3H3
InChIKeyCTLACPINUCOMJR-UHFFFAOYSA-N
MW267.40 g/mol
LogP2.76
Rot. Bonds3

About (3-ethylpiperidin-1-yl)-[3-methyl-5-(methylamino)-1,2-thiazol-4-yl]methanone

(3-ethylpiperidin-1-yl)-[3-methyl-5-(methylamino)-1,2-thiazol-4-yl]methanone (PubChem CID 56812347) has the molecular formula C13H21N3OS and a molecular weight of 267.40 g/mol. Its IUPAC name is (3-ethylpiperidin-1-yl)-[3-methyl-5-(methylamino)-1,2-thiazol-4-yl]methanone.

Molecular Properties

Compound Name(3-ethylpiperidin-1-yl)-[3-methyl-5-(methylamino)-1,2-thiazol-4-yl]methanone
PubChem CID56812347
Molecular FormulaC13H21N3OS
Molecular Weight267.40 g/mol
Exact Mass267.14
IUPAC Name(3-ethylpiperidin-1-yl)-[3-methyl-5-(methylamino)-1,2-thiazol-4-yl]methanone
SMILESCCC1CCCN(C(=O)c2c(C)nsc2NC)C1
InChIInChI=1S/C13H21N3OS/c1-4-10-6-5-7-16(8-10)13(17)11-9(2)15-18-12(11)14-3/h10,14H,4-8H2,1-3H3
InChIKeyCTLACPINUCOMJR-UHFFFAOYSA-N
XLogP2.76
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.40
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(3S)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]-[3-methyl-5-(methylamino)-1,2-thiazol-4-yl]methanone
CID 95606545
[3-methyl-5-(methylamino)-1,2-thiazol-4-yl]-[(3S)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
CID 95734846
[3-methyl-5-(methylamino)-1,2-thiazol-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 27449294
[3-methyl-5-(methylamino)-1,2-thiazol-4-yl]-thiomorpholin-4-ylmethanone
CID 56815921
[(2S,6S)-2,6-dimethylmorpholin-4-yl]-[3-methyl-5-(methylamino)-1,2-thiazol-4-yl]methanone
CID 34676483
[4-[3-methyl-5-(methylamino)-1,2-thiazole-4-carbonyl]piperazin-1-yl]-(oxolan-2-yl)methanone
CID 51075742
[3-methyl-5-(methylamino)-1,2-thiazol-4-yl]-(4-phenylpiperazin-1-yl)methanone
CID 27449003
(3,5-dimethyl-1H-pyrazol-4-yl)-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 61205635
(3-ethylpiperidin-1-yl)-[2-(methylamino)phenyl]methanone
CID 61377467
[4-[(2R)-3-ethoxy-2-hydroxypropyl]piperazin-1-yl]-[3-methyl-5-(methylamino)-1,2-thiazol-4-yl]methanone
CID 97209125
methyl 5-[[(3R)-3-[(carbamoylamino)methyl]piperidine-1-carbonyl]amino]-3-methyl-1,2-thiazole-4-carboxylate
CID 51962576
N-[1-[3-methyl-5-(methylamino)-1,2-thiazole-4-carbonyl]piperidin-4-yl]-3-phenylpropanamide
CID 55692508

Frequently Asked Questions

What is the IUPAC name of (3-ethylpiperidin-1-yl)-[3-methyl-5-(methylamino)-1,2-thiazol-4-yl]methanone?
The IUPAC name of (3-ethylpiperidin-1-yl)-[3-methyl-5-(methylamino)-1,2-thiazol-4-yl]methanone (CID 56812347) is (3-ethylpiperidin-1-yl)-[3-methyl-5-(methylamino)-1,2-thiazol-4-yl]methanone.
What is the SMILES notation for (3-ethylpiperidin-1-yl)-[3-methyl-5-(methylamino)-1,2-thiazol-4-yl]methanone?
The canonical SMILES for (3-ethylpiperidin-1-yl)-[3-methyl-5-(methylamino)-1,2-thiazol-4-yl]methanone is CCC1CCCN(C(=O)c2c(C)nsc2NC)C1.
What is the InChIKey of (3-ethylpiperidin-1-yl)-[3-methyl-5-(methylamino)-1,2-thiazol-4-yl]methanone?
The InChIKey is CTLACPINUCOMJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3OS/c1-4-10-6-5-7-16(8-10)13(17)11-9(2)15-18-12(11)14-3/h10,14H,4-8H2,1-3H3.
What are the key properties of (3-ethylpiperidin-1-yl)-[3-methyl-5-(methylamino)-1,2-thiazol-4-yl]methanone?
(3-ethylpiperidin-1-yl)-[3-methyl-5-(methylamino)-1,2-thiazol-4-yl]methanone has a molecular weight of 267.40 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethylpiperidin-1-yl)-[3-methyl-5-(methylamino)-1,2-thiazol-4-yl]methanone is sourced from PubChem (CID 56812347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).