N-(3-methyl-1,3-thiazol-2-ylidene)-1-pyrazin-2-ylpiperidine-3-carboxamide

C14H17N5OS — CID 42950720

IUPACN-(3-methyl-1,3-thiazol-2-ylidene)-1-pyrazin-2-ylpiperidine-3-carboxamide
SMILESCn1ccs/c1=N\C(=O)C1CCCN(c2cnccn2)C1
InChIInChI=1S/C14H17N5OS/c1-18-7-8-21-14(18)17-13(20)11-3-2-6-19(10-11)12-9-15-4-5-16-12/h4-5,7-9,11H,2-3,6,10H2,1H3/b17-14-
InChIKeyWOYCCKOGTHHFBR-VKAVYKQESA-N
MW303.39 g/mol
LogP1.22
Rot. Bonds2

About N-(3-methyl-1,3-thiazol-2-ylidene)-1-pyrazin-2-ylpiperidine-3-carboxamide

N-(3-methyl-1,3-thiazol-2-ylidene)-1-pyrazin-2-ylpiperidine-3-carboxamide (PubChem CID 42950720) has the molecular formula C14H17N5OS and a molecular weight of 303.39 g/mol. Its IUPAC name is N-(3-methyl-1,3-thiazol-2-ylidene)-1-pyrazin-2-ylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-methyl-1,3-thiazol-2-ylidene)-1-pyrazin-2-ylpiperidine-3-carboxamide
PubChem CID42950720
Molecular FormulaC14H17N5OS
Molecular Weight303.39 g/mol
Exact Mass303.12
IUPAC NameN-(3-methyl-1,3-thiazol-2-ylidene)-1-pyrazin-2-ylpiperidine-3-carboxamide
SMILESCn1ccs/c1=N\C(=O)C1CCCN(c2cnccn2)C1
InChIInChI=1S/C14H17N5OS/c1-18-7-8-21-14(18)17-13(20)11-3-2-6-19(10-11)12-9-15-4-5-16-12/h4-5,7-9,11H,2-3,6,10H2,1H3/b17-14-
InChIKeyWOYCCKOGTHHFBR-VKAVYKQESA-N
XLogP1.22
TPSA63.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]-[(3S)-1-pyrazin-2-ylpiperidin-3-yl]methanone
CID 129427634
(3S)-1-pyrazin-2-yl-N-(1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide
CID 37027060
N-propan-2-yl-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 42950778
(3S)-N-tert-butyl-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 94045960
[(2R,6R)-2,6-dimethylmorpholin-4-yl]-[(3R)-1-pyrazin-2-ylpiperidin-3-yl]methanone
CID 36990549
[(3R)-1-pyrazin-2-ylpiperidin-3-yl]-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]methanone
CID 37023275
(3S)-N-(1-methylpyrazol-3-yl)-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 37000668
1-pyrazin-2-yl-N,N-bis(thiophen-2-ylmethyl)piperidine-3-carboxamide
CID 47024935
N-[(3-chlorophenyl)methyl]-N-methyl-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 46597069
ethyl N-[[(3R)-1-pyrazin-2-ylpiperidine-3-carbonyl]amino]carbamate
CID 37002369
(3R)-N-(5-butyl-1,3,4-thiadiazol-2-yl)-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 37027970
(3S)-N-(5-butyl-1,3,4-thiadiazol-2-yl)-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 37027971

Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-1,3-thiazol-2-ylidene)-1-pyrazin-2-ylpiperidine-3-carboxamide?
The IUPAC name of N-(3-methyl-1,3-thiazol-2-ylidene)-1-pyrazin-2-ylpiperidine-3-carboxamide (CID 42950720) is N-(3-methyl-1,3-thiazol-2-ylidene)-1-pyrazin-2-ylpiperidine-3-carboxamide.
What is the SMILES notation for N-(3-methyl-1,3-thiazol-2-ylidene)-1-pyrazin-2-ylpiperidine-3-carboxamide?
The canonical SMILES for N-(3-methyl-1,3-thiazol-2-ylidene)-1-pyrazin-2-ylpiperidine-3-carboxamide is Cn1ccs/c1=N\C(=O)C1CCCN(c2cnccn2)C1.
What is the InChIKey of N-(3-methyl-1,3-thiazol-2-ylidene)-1-pyrazin-2-ylpiperidine-3-carboxamide?
The InChIKey is WOYCCKOGTHHFBR-VKAVYKQESA-N. The full InChI is InChI=1S/C14H17N5OS/c1-18-7-8-21-14(18)17-13(20)11-3-2-6-19(10-11)12-9-15-4-5-16-12/h4-5,7-9,11H,2-3,6,10H2,1H3/b17-14-.
What are the key properties of N-(3-methyl-1,3-thiazol-2-ylidene)-1-pyrazin-2-ylpiperidine-3-carboxamide?
N-(3-methyl-1,3-thiazol-2-ylidene)-1-pyrazin-2-ylpiperidine-3-carboxamide has a molecular weight of 303.39 g/mol, XLogP of 1.22, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-1,3-thiazol-2-ylidene)-1-pyrazin-2-ylpiperidine-3-carboxamide is sourced from PubChem (CID 42950720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).