4-methyl-2-(1-pyrido[2,3-b]pyrazin-6-ylpiperidin-3-yl)-1,3-thiazole

C16H17N5S — CID 133301256

IUPAC4-methyl-2-(1-pyrido[2,3-b]pyrazin-6-ylpiperidin-3-yl)-1,3-thiazole
SMILESCc1csc(C2CCCN(c3ccc4nccnc4n3)C2)n1
InChIInChI=1S/C16H17N5S/c1-11-10-22-16(19-11)12-3-2-8-21(9-12)14-5-4-13-15(20-14)18-7-6-17-13/h4-7,10,12H,2-3,8-9H2,1H3
InChIKeyHCEZFPFTJWZNND-UHFFFAOYSA-N
MW311.41 g/mol
LogP3.17
Rot. Bonds2

About 4-methyl-2-(1-pyrido[2,3-b]pyrazin-6-ylpiperidin-3-yl)-1,3-thiazole

4-methyl-2-(1-pyrido[2,3-b]pyrazin-6-ylpiperidin-3-yl)-1,3-thiazole (PubChem CID 133301256) has the molecular formula C16H17N5S and a molecular weight of 311.41 g/mol. Its IUPAC name is 4-methyl-2-(1-pyrido[2,3-b]pyrazin-6-ylpiperidin-3-yl)-1,3-thiazole.

Molecular Properties

Compound Name4-methyl-2-(1-pyrido[2,3-b]pyrazin-6-ylpiperidin-3-yl)-1,3-thiazole
PubChem CID133301256
Molecular FormulaC16H17N5S
Molecular Weight311.41 g/mol
Exact Mass311.12
IUPAC Name4-methyl-2-(1-pyrido[2,3-b]pyrazin-6-ylpiperidin-3-yl)-1,3-thiazole
SMILESCc1csc(C2CCCN(c3ccc4nccnc4n3)C2)n1
InChIInChI=1S/C16H17N5S/c1-11-10-22-16(19-11)12-3-2-8-21(9-12)14-5-4-13-15(20-14)18-7-6-17-13/h4-7,10,12H,2-3,8-9H2,1H3
InChIKeyHCEZFPFTJWZNND-UHFFFAOYSA-N
XLogP3.17
TPSA54.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-3-yl]-4-methyl-1,3-thiazole
CID 133328206
6-(3-chloro-4-methylpiperidin-1-yl)pyrido[2,3-b]pyrazine
CID 102960882
(3S)-N-cyclopentyl-1-pyrido[2,3-b]pyrazin-6-ylpiperidine-3-sulfonamide
CID 97348278
2-[1-(3,6-dimethylpyrazin-2-yl)piperidin-3-yl]-4-ethyl-1,3-thiazole
CID 86792052
6-[3-(phenoxymethyl)piperidin-1-yl]pyrido[2,3-b]pyrazine
CID 133308222
5-(1-pyrido[2,3-b]pyrazin-6-ylpyrrolidin-3-yl)-1,2-dihydropyrazol-3-one
CID 154770924
N-(3-methyl-2-pyridinyl)-1-pyrido[2,3-b]pyrazin-6-ylpiperidine-3-carboxamide
CID 51101967
4-methyl-N-[6-methyl-2-[(3S)-1-pyrazin-2-ylpiperidin-3-yl]pyrimidin-4-yl]-1,3-thiazol-2-amine
CID 125014641
4-pyrido[2,3-b]pyrazin-6-ylthiomorpholine
CID 75368987
4-[3-(4-methyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]pyridine-2-carboxylic acid
CID 119183715
2-[1-(5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]-4-methyl-1,3-thiazole
CID 136568507
6-[3-(4-methylpiperazin-1-yl)azetidin-1-yl]pyrido[2,3-b]pyrazine
CID 126891851

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(1-pyrido[2,3-b]pyrazin-6-ylpiperidin-3-yl)-1,3-thiazole?
The IUPAC name of 4-methyl-2-(1-pyrido[2,3-b]pyrazin-6-ylpiperidin-3-yl)-1,3-thiazole (CID 133301256) is 4-methyl-2-(1-pyrido[2,3-b]pyrazin-6-ylpiperidin-3-yl)-1,3-thiazole.
What is the SMILES notation for 4-methyl-2-(1-pyrido[2,3-b]pyrazin-6-ylpiperidin-3-yl)-1,3-thiazole?
The canonical SMILES for 4-methyl-2-(1-pyrido[2,3-b]pyrazin-6-ylpiperidin-3-yl)-1,3-thiazole is Cc1csc(C2CCCN(c3ccc4nccnc4n3)C2)n1.
What is the InChIKey of 4-methyl-2-(1-pyrido[2,3-b]pyrazin-6-ylpiperidin-3-yl)-1,3-thiazole?
The InChIKey is HCEZFPFTJWZNND-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5S/c1-11-10-22-16(19-11)12-3-2-8-21(9-12)14-5-4-13-15(20-14)18-7-6-17-13/h4-7,10,12H,2-3,8-9H2,1H3.
What are the key properties of 4-methyl-2-(1-pyrido[2,3-b]pyrazin-6-ylpiperidin-3-yl)-1,3-thiazole?
4-methyl-2-(1-pyrido[2,3-b]pyrazin-6-ylpiperidin-3-yl)-1,3-thiazole has a molecular weight of 311.41 g/mol, XLogP of 3.17, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(1-pyrido[2,3-b]pyrazin-6-ylpiperidin-3-yl)-1,3-thiazole is sourced from PubChem (CID 133301256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).