[(3R)-3-(methylamino)piperidin-1-yl]-(2-pyridin-2-yl-1,3-thiazol-4-yl)methanone

C15H18N4OS — CID 124574925

IUPAC[(3R)-3-(methylamino)piperidin-1-yl]-(2-pyridin-2-yl-1,3-thiazol-4-yl)methanone
SMILESCN[C@@H]1CCCN(C(=O)c2csc(-c3ccccn3)n2)C1
InChIInChI=1S/C15H18N4OS/c1-16-11-5-4-8-19(9-11)15(20)13-10-21-14(18-13)12-6-2-3-7-17-12/h2-3,6-7,10-11,16H,4-5,8-9H2,1H3/t11-/m1/s1
InChIKeySWXCTCGKRFVYRY-LLVKDONJSA-N
MW302.40 g/mol
LogP2.03
Rot. Bonds3

About [(3R)-3-(methylamino)piperidin-1-yl]-(2-pyridin-2-yl-1,3-thiazol-4-yl)methanone

[(3R)-3-(methylamino)piperidin-1-yl]-(2-pyridin-2-yl-1,3-thiazol-4-yl)methanone (PubChem CID 124574925) has the molecular formula C15H18N4OS and a molecular weight of 302.40 g/mol. Its IUPAC name is [(3R)-3-(methylamino)piperidin-1-yl]-(2-pyridin-2-yl-1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Name[(3R)-3-(methylamino)piperidin-1-yl]-(2-pyridin-2-yl-1,3-thiazol-4-yl)methanone
PubChem CID124574925
Molecular FormulaC15H18N4OS
Molecular Weight302.40 g/mol
Exact Mass302.12
IUPAC Name[(3R)-3-(methylamino)piperidin-1-yl]-(2-pyridin-2-yl-1,3-thiazol-4-yl)methanone
SMILESCN[C@@H]1CCCN(C(=O)c2csc(-c3ccccn3)n2)C1
InChIInChI=1S/C15H18N4OS/c1-16-11-5-4-8-19(9-11)15(20)13-10-21-14(18-13)12-6-2-3-7-17-12/h2-3,6-7,10-11,16H,4-5,8-9H2,1H3/t11-/m1/s1
InChIKeySWXCTCGKRFVYRY-LLVKDONJSA-N
XLogP2.03
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[3-(methylamino)piperidin-1-yl]-(2-pyrazin-2-yl-1,3-thiazol-4-yl)methanone
CID 119489708
[2-(2-fluorophenyl)-1,3-thiazol-4-yl]-[(3S)-3-(methylamino)piperidin-1-yl]methanone
CID 124575758
[(3R)-3-imidazol-1-ylpiperidin-1-yl]-(2-pyridin-2-yl-1,3-thiazol-4-yl)methanone
CID 95314062
[2-(3-chlorophenyl)-1,3-thiazol-4-yl]-[3-(methylamino)piperidin-1-yl]methanone
CID 119490176
[(2S)-2-(methylaminomethyl)pyrrolidin-1-yl]-(2-pyridin-2-yl-1,3-thiazol-4-yl)methanone
CID 124595892
[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]-[3-(methylamino)piperidin-1-yl]methanone;dihydrochloride
CID 119492881
[3-(methylamino)piperidin-1-yl]-[2-(2-phenylethyl)-1,3-thiazol-4-yl]methanone;dihydrochloride
CID 119490541
N-cyclopropyl-2-pyridin-2-yl-1,3-thiazole-4-carboxamide
CID 110647283
(2,4-dimethylpiperazin-1-yl)-(2-pyridin-2-yl-1,3-thiazol-4-yl)methanone
CID 71877261
[3-(methylamino)piperidin-1-yl]-(1-phenylpyrazol-3-yl)methanone
CID 119493699
(3R)-N-cyclopropyl-1-(2-phenyl-1,3-thiazole-4-carbonyl)piperidine-3-carboxamide
CID 94352886
(1-methyl-3,4-dihydro-2H-1,5-benzodiazepin-5-yl)-(2-pyridin-2-yl-1,3-thiazol-4-yl)methanone
CID 119041924

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-(methylamino)piperidin-1-yl]-(2-pyridin-2-yl-1,3-thiazol-4-yl)methanone?
The IUPAC name of [(3R)-3-(methylamino)piperidin-1-yl]-(2-pyridin-2-yl-1,3-thiazol-4-yl)methanone (CID 124574925) is [(3R)-3-(methylamino)piperidin-1-yl]-(2-pyridin-2-yl-1,3-thiazol-4-yl)methanone.
What is the SMILES notation for [(3R)-3-(methylamino)piperidin-1-yl]-(2-pyridin-2-yl-1,3-thiazol-4-yl)methanone?
The canonical SMILES for [(3R)-3-(methylamino)piperidin-1-yl]-(2-pyridin-2-yl-1,3-thiazol-4-yl)methanone is CN[C@@H]1CCCN(C(=O)c2csc(-c3ccccn3)n2)C1.
What is the InChIKey of [(3R)-3-(methylamino)piperidin-1-yl]-(2-pyridin-2-yl-1,3-thiazol-4-yl)methanone?
The InChIKey is SWXCTCGKRFVYRY-LLVKDONJSA-N. The full InChI is InChI=1S/C15H18N4OS/c1-16-11-5-4-8-19(9-11)15(20)13-10-21-14(18-13)12-6-2-3-7-17-12/h2-3,6-7,10-11,16H,4-5,8-9H2,1H3/t11-/m1/s1.
What are the key properties of [(3R)-3-(methylamino)piperidin-1-yl]-(2-pyridin-2-yl-1,3-thiazol-4-yl)methanone?
[(3R)-3-(methylamino)piperidin-1-yl]-(2-pyridin-2-yl-1,3-thiazol-4-yl)methanone has a molecular weight of 302.40 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-(methylamino)piperidin-1-yl]-(2-pyridin-2-yl-1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 124574925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).