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

C12H19N3OS — CID 27449294

IUPAC[3-methyl-5-(methylamino)-1,2-thiazol-4-yl]-(4-methylpiperidin-1-yl)methanone
SMILESCNc1snc(C)c1C(=O)N1CCC(C)CC1
InChIInChI=1S/C12H19N3OS/c1-8-4-6-15(7-5-8)12(16)10-9(2)14-17-11(10)13-3/h8,13H,4-7H2,1-3H3
InChIKeyORGGZNBNPNWTRH-UHFFFAOYSA-N
MW253.37 g/mol
LogP2.37
Rot. Bonds2

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

[3-methyl-5-(methylamino)-1,2-thiazol-4-yl]-(4-methylpiperidin-1-yl)methanone (PubChem CID 27449294) has the molecular formula C12H19N3OS and a molecular weight of 253.37 g/mol. Its IUPAC name is [3-methyl-5-(methylamino)-1,2-thiazol-4-yl]-(4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[3-methyl-5-(methylamino)-1,2-thiazol-4-yl]-(4-methylpiperidin-1-yl)methanone
PubChem CID27449294
Molecular FormulaC12H19N3OS
Molecular Weight253.37 g/mol
Exact Mass253.12
IUPAC Name[3-methyl-5-(methylamino)-1,2-thiazol-4-yl]-(4-methylpiperidin-1-yl)methanone
SMILESCNc1snc(C)c1C(=O)N1CCC(C)CC1
InChIInChI=1S/C12H19N3OS/c1-8-4-6-15(7-5-8)12(16)10-9(2)14-17-11(10)13-3/h8,13H,4-7H2,1-3H3
InChIKeyORGGZNBNPNWTRH-UHFFFAOYSA-N
XLogP2.37
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-methyl-5-(methylamino)-1,2-thiazol-4-yl]-thiomorpholin-4-ylmethanone
CID 56815921
[1-[3-methyl-5-(methylamino)-1,2-thiazole-4-carbonyl]piperidin-4-yl]-(4-methylphenyl)methanone
CID 55955315
(3-ethylpiperidin-1-yl)-[3-methyl-5-(methylamino)-1,2-thiazol-4-yl]methanone
CID 56812347
[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
N-[1-[3-methyl-5-(methylamino)-1,2-thiazole-4-carbonyl]piperidin-4-yl]-3-phenylpropanamide
CID 55692508
[3-(3,4-dichlorophenoxy)pyrrolidin-1-yl]-[3-methyl-5-(methylamino)-1,2-thiazol-4-yl]methanone
CID 91644564
[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
2-methyl-7-[3-methyl-5-(methylamino)-1,2-thiazole-4-carbonyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one
CID 75393963
methyl 3-methyl-5-[[(3R)-3-methylpyrrolidine-1-carbonyl]amino]-1,2-thiazole-4-carboxylate
CID 95145098
[4-[(2R)-3-ethoxy-2-hydroxypropyl]piperazin-1-yl]-[3-methyl-5-(methylamino)-1,2-thiazol-4-yl]methanone
CID 97209125
[3-methyl-5-(methylamino)-1,2-thiazol-4-yl]-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]methanone
CID 51081119

Frequently Asked Questions

What is the IUPAC name of [3-methyl-5-(methylamino)-1,2-thiazol-4-yl]-(4-methylpiperidin-1-yl)methanone?
The IUPAC name of [3-methyl-5-(methylamino)-1,2-thiazol-4-yl]-(4-methylpiperidin-1-yl)methanone (CID 27449294) is [3-methyl-5-(methylamino)-1,2-thiazol-4-yl]-(4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [3-methyl-5-(methylamino)-1,2-thiazol-4-yl]-(4-methylpiperidin-1-yl)methanone?
The canonical SMILES for [3-methyl-5-(methylamino)-1,2-thiazol-4-yl]-(4-methylpiperidin-1-yl)methanone is CNc1snc(C)c1C(=O)N1CCC(C)CC1.
What is the InChIKey of [3-methyl-5-(methylamino)-1,2-thiazol-4-yl]-(4-methylpiperidin-1-yl)methanone?
The InChIKey is ORGGZNBNPNWTRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3OS/c1-8-4-6-15(7-5-8)12(16)10-9(2)14-17-11(10)13-3/h8,13H,4-7H2,1-3H3.
What are the key properties of [3-methyl-5-(methylamino)-1,2-thiazol-4-yl]-(4-methylpiperidin-1-yl)methanone?
[3-methyl-5-(methylamino)-1,2-thiazol-4-yl]-(4-methylpiperidin-1-yl)methanone has a molecular weight of 253.37 g/mol, XLogP of 2.37, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-5-(methylamino)-1,2-thiazol-4-yl]-(4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 27449294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).