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

C17H17N7OS — CID 110096053

IUPAC[3-[3-(pyrazin-2-ylamino)pyrazin-2-yl]piperidin-1-yl]-(1,3-thiazol-4-yl)methanone
SMILESO=C(c1cscn1)N1CCCC(c2nccnc2Nc2cnccn2)C1
InChIInChI=1S/C17H17N7OS/c25-17(13-10-26-11-22-13)24-7-1-2-12(9-24)15-16(21-6-5-20-15)23-14-8-18-3-4-19-14/h3-6,8,10-12H,1-2,7,9H2,(H,19,21,23)
InChIKeyCWYSHMYUHFQGKE-UHFFFAOYSA-N
MW367.44 g/mol
LogP2.49
Rot. Bonds4

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

[3-[3-(pyrazin-2-ylamino)pyrazin-2-yl]piperidin-1-yl]-(1,3-thiazol-4-yl)methanone (PubChem CID 110096053) has the molecular formula C17H17N7OS and a molecular weight of 367.44 g/mol. Its IUPAC name is [3-[3-(pyrazin-2-ylamino)pyrazin-2-yl]piperidin-1-yl]-(1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Name[3-[3-(pyrazin-2-ylamino)pyrazin-2-yl]piperidin-1-yl]-(1,3-thiazol-4-yl)methanone
PubChem CID110096053
Molecular FormulaC17H17N7OS
Molecular Weight367.44 g/mol
Exact Mass367.12
IUPAC Name[3-[3-(pyrazin-2-ylamino)pyrazin-2-yl]piperidin-1-yl]-(1,3-thiazol-4-yl)methanone
SMILESO=C(c1cscn1)N1CCCC(c2nccnc2Nc2cnccn2)C1
InChIInChI=1S/C17H17N7OS/c25-17(13-10-26-11-22-13)24-7-1-2-12(9-24)15-16(21-6-5-20-15)23-14-8-18-3-4-19-14/h3-6,8,10-12H,1-2,7,9H2,(H,19,21,23)
InChIKeyCWYSHMYUHFQGKE-UHFFFAOYSA-N
XLogP2.49
TPSA96.79 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.44
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze [3-[3-(pyrazin-2-ylamino)pyrazin-2-yl]piperidin-1-yl]-(1,3-thiazol-4-yl)methanone with MolForge

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Related Compounds

[(3S)-3-[6-(pyrazin-2-ylamino)-2-pyridinyl]piperidin-1-yl]-pyridin-2-ylmethanone
CID 124982023
[(3S)-3-(5-methyl-2-pyridinyl)piperidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 95824375
2-methyl-1-[4-[3-(pyrazin-2-ylamino)pyrazin-2-yl]piperidin-1-yl]propan-1-one
CID 95822153
[(3R)-3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 125012156
[(3S)-3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 125012155
1-(1,3-thiazole-4-carbonyl)piperidine-3-carboxylic acid
CID 63023722
N-cyclopentyl-1-(1,3-thiazole-4-carbonyl)piperidine-3-sulfonamide
CID 75476178
(3-pyrrolidin-1-ylpiperidin-1-yl)-(1,3-thiazol-4-yl)methanone
CID 63049254
(3R)-N-methyl-1-(1,3-thiazole-4-carbonyl)piperidine-3-carboxamide
CID 95828809
[(2R)-2-pyrazin-2-ylmorpholin-4-yl]-(1,3-thiazol-4-yl)methanone
CID 125022410
phenyl-[(3S)-3-[6-(pyrazin-2-ylamino)-2-pyridinyl]piperidin-1-yl]methanone
CID 124998713
pyrazin-2-yl-[(3S)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 97274348

Frequently Asked Questions

What is the IUPAC name of [3-[3-(pyrazin-2-ylamino)pyrazin-2-yl]piperidin-1-yl]-(1,3-thiazol-4-yl)methanone?
The IUPAC name of [3-[3-(pyrazin-2-ylamino)pyrazin-2-yl]piperidin-1-yl]-(1,3-thiazol-4-yl)methanone (CID 110096053) is [3-[3-(pyrazin-2-ylamino)pyrazin-2-yl]piperidin-1-yl]-(1,3-thiazol-4-yl)methanone.
What is the SMILES notation for [3-[3-(pyrazin-2-ylamino)pyrazin-2-yl]piperidin-1-yl]-(1,3-thiazol-4-yl)methanone?
The canonical SMILES for [3-[3-(pyrazin-2-ylamino)pyrazin-2-yl]piperidin-1-yl]-(1,3-thiazol-4-yl)methanone is O=C(c1cscn1)N1CCCC(c2nccnc2Nc2cnccn2)C1.
What is the InChIKey of [3-[3-(pyrazin-2-ylamino)pyrazin-2-yl]piperidin-1-yl]-(1,3-thiazol-4-yl)methanone?
The InChIKey is CWYSHMYUHFQGKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N7OS/c25-17(13-10-26-11-22-13)24-7-1-2-12(9-24)15-16(21-6-5-20-15)23-14-8-18-3-4-19-14/h3-6,8,10-12H,1-2,7,9H2,(H,19,21,23).
What are the key properties of [3-[3-(pyrazin-2-ylamino)pyrazin-2-yl]piperidin-1-yl]-(1,3-thiazol-4-yl)methanone?
[3-[3-(pyrazin-2-ylamino)pyrazin-2-yl]piperidin-1-yl]-(1,3-thiazol-4-yl)methanone has a molecular weight of 367.44 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[3-(pyrazin-2-ylamino)pyrazin-2-yl]piperidin-1-yl]-(1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 110096053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).