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

C14H17N5OS — CID 119489708

IUPAC[3-(methylamino)piperidin-1-yl]-(2-pyrazin-2-yl-1,3-thiazol-4-yl)methanone
SMILESCNC1CCCN(C(=O)c2csc(-c3cnccn3)n2)C1
InChIInChI=1S/C14H17N5OS/c1-15-10-3-2-6-19(8-10)14(20)12-9-21-13(18-12)11-7-16-4-5-17-11/h4-5,7,9-10,15H,2-3,6,8H2,1H3
InChIKeyOJYSHKCVJWLRKG-UHFFFAOYSA-N
MW303.39 g/mol
LogP1.42
Rot. Bonds3

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

[3-(methylamino)piperidin-1-yl]-(2-pyrazin-2-yl-1,3-thiazol-4-yl)methanone (PubChem CID 119489708) has the molecular formula C14H17N5OS and a molecular weight of 303.39 g/mol. Its IUPAC name is [3-(methylamino)piperidin-1-yl]-(2-pyrazin-2-yl-1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Name[3-(methylamino)piperidin-1-yl]-(2-pyrazin-2-yl-1,3-thiazol-4-yl)methanone
PubChem CID119489708
Molecular FormulaC14H17N5OS
Molecular Weight303.39 g/mol
Exact Mass303.12
IUPAC Name[3-(methylamino)piperidin-1-yl]-(2-pyrazin-2-yl-1,3-thiazol-4-yl)methanone
SMILESCNC1CCCN(C(=O)c2csc(-c3cnccn3)n2)C1
InChIInChI=1S/C14H17N5OS/c1-15-10-3-2-6-19(8-10)14(20)12-9-21-13(18-12)11-7-16-4-5-17-11/h4-5,7,9-10,15H,2-3,6,8H2,1H3
InChIKeyOJYSHKCVJWLRKG-UHFFFAOYSA-N
XLogP1.42
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[(3R)-3-(methylamino)piperidin-1-yl]-(2-pyridin-2-yl-1,3-thiazol-4-yl)methanone
CID 124574925
[(3R)-3-(methylamino)piperidin-1-yl]-pyrazin-2-ylmethanone
CID 94475780
[2-(2-fluorophenyl)-1,3-thiazol-4-yl]-[(3S)-3-(methylamino)piperidin-1-yl]methanone
CID 124575758
[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]-[3-(methylamino)piperidin-1-yl]methanone;dihydrochloride
CID 119492881
[2-(3-chlorophenyl)-1,3-thiazol-4-yl]-[3-(methylamino)piperidin-1-yl]methanone
CID 119490176
2-[4-(2-pyrazin-2-yl-1,3-thiazole-4-carbonyl)morpholin-2-yl]acetic acid
CID 120527742
(2R)-1-(2-pyrazin-2-yl-1,3-thiazole-4-carbonyl)piperidine-2-carboxylic acid
CID 120537472
[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-(2-pyrazin-2-yl-1,3-thiazol-4-yl)methanone
CID 95569194
[4-(4-tert-butyl-1,3-thiazol-2-yl)piperidin-1-yl]-(2-pyrazin-2-yl-1,3-thiazol-4-yl)methanone
CID 3854483
(2-methyl-1,3-thiazol-4-yl)-[(3S)-3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone
CID 99993788
[3-(methylamino)piperidin-1-yl]-[2-(2-phenylethyl)-1,3-thiazol-4-yl]methanone;dihydrochloride
CID 119490541
[2-(4-methoxyanilino)-1,3-thiazol-4-yl]-[3-(methylamino)piperidin-1-yl]methanone
CID 119488881

Frequently Asked Questions

What is the IUPAC name of [3-(methylamino)piperidin-1-yl]-(2-pyrazin-2-yl-1,3-thiazol-4-yl)methanone?
The IUPAC name of [3-(methylamino)piperidin-1-yl]-(2-pyrazin-2-yl-1,3-thiazol-4-yl)methanone (CID 119489708) is [3-(methylamino)piperidin-1-yl]-(2-pyrazin-2-yl-1,3-thiazol-4-yl)methanone.
What is the SMILES notation for [3-(methylamino)piperidin-1-yl]-(2-pyrazin-2-yl-1,3-thiazol-4-yl)methanone?
The canonical SMILES for [3-(methylamino)piperidin-1-yl]-(2-pyrazin-2-yl-1,3-thiazol-4-yl)methanone is CNC1CCCN(C(=O)c2csc(-c3cnccn3)n2)C1.
What is the InChIKey of [3-(methylamino)piperidin-1-yl]-(2-pyrazin-2-yl-1,3-thiazol-4-yl)methanone?
The InChIKey is OJYSHKCVJWLRKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5OS/c1-15-10-3-2-6-19(8-10)14(20)12-9-21-13(18-12)11-7-16-4-5-17-11/h4-5,7,9-10,15H,2-3,6,8H2,1H3.
What are the key properties of [3-(methylamino)piperidin-1-yl]-(2-pyrazin-2-yl-1,3-thiazol-4-yl)methanone?
[3-(methylamino)piperidin-1-yl]-(2-pyrazin-2-yl-1,3-thiazol-4-yl)methanone has a molecular weight of 303.39 g/mol, XLogP of 1.42, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(methylamino)piperidin-1-yl]-(2-pyrazin-2-yl-1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 119489708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).