4-methyl-2-[(2S)-2-methyl-4-(pyridin-3-ylmethyl)piperazin-1-yl]-1,3-thiazole

C15H20N4S — CID 95354138

IUPAC4-methyl-2-[(2S)-2-methyl-4-(pyridin-3-ylmethyl)piperazin-1-yl]-1,3-thiazole
SMILESCc1csc(N2CCN(Cc3cccnc3)C[C@@H]2C)n1
InChIInChI=1S/C15H20N4S/c1-12-11-20-15(17-12)19-7-6-18(9-13(19)2)10-14-4-3-5-16-8-14/h3-5,8,11,13H,6-7,9-10H2,1-2H3/t13-/m0/s1
InChIKeyVVRWUYNBXFDQGL-ZDUSSCGKSA-N
MW288.42 g/mol
LogP2.56
Rot. Bonds3

About 4-methyl-2-[(2S)-2-methyl-4-(pyridin-3-ylmethyl)piperazin-1-yl]-1,3-thiazole

4-methyl-2-[(2S)-2-methyl-4-(pyridin-3-ylmethyl)piperazin-1-yl]-1,3-thiazole (PubChem CID 95354138) has the molecular formula C15H20N4S and a molecular weight of 288.42 g/mol. Its IUPAC name is 4-methyl-2-[(2S)-2-methyl-4-(pyridin-3-ylmethyl)piperazin-1-yl]-1,3-thiazole.

Molecular Properties

Compound Name4-methyl-2-[(2S)-2-methyl-4-(pyridin-3-ylmethyl)piperazin-1-yl]-1,3-thiazole
PubChem CID95354138
Molecular FormulaC15H20N4S
Molecular Weight288.42 g/mol
Exact Mass288.14
IUPAC Name4-methyl-2-[(2S)-2-methyl-4-(pyridin-3-ylmethyl)piperazin-1-yl]-1,3-thiazole
SMILESCc1csc(N2CCN(Cc3cccnc3)C[C@@H]2C)n1
InChIInChI=1S/C15H20N4S/c1-12-11-20-15(17-12)19-7-6-18(9-13(19)2)10-14-4-3-5-16-8-14/h3-5,8,11,13H,6-7,9-10H2,1-2H3/t13-/m0/s1
InChIKeyVVRWUYNBXFDQGL-ZDUSSCGKSA-N
XLogP2.56
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-ethyl-2-methyl-4-(pyridin-3-ylmethyl)piperazine
CID 150931235
3,5-dimethyl-4-[[(3R)-3-methyl-4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]methyl]-1,2-oxazole
CID 124737120
5-chloro-4-[[3-methyl-4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]methyl]thiadiazole
CID 56778653
2-[(2R)-4-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-2-methylpiperazin-1-yl]-4-methyl-1,3-thiazole
CID 98763683
3-methyl-1-(pyridin-3-ylmethyl)piperazine
CID 64832187
2-(4-benzyl-2-methylpiperazin-1-yl)-5-bromo-1,3,4-thiadiazole
CID 130766066
(1R)-2-[(2R)-2-methyl-4-(pyridin-3-ylmethyl)piperazin-1-yl]-1-phenylethanol
CID 95336645
2-methyl-4-[1-(pyridin-3-ylmethyl)piperidin-3-yl]pyrimidine
CID 110091435
3-[[3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrrolidin-1-yl]methyl]pyridine
CID 91916522
3-[(3-chloro-4-methylpyrrolidin-1-yl)methyl]pyridine
CID 131185945
N,N-bis(cyanomethyl)-3-[(3S)-3-methyl-4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]propanamide
CID 95345224
2-(4-benzyl-2-methylpiperazin-1-yl)-4,6-dichloro-1,3,5-triazine
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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[(2S)-2-methyl-4-(pyridin-3-ylmethyl)piperazin-1-yl]-1,3-thiazole?
The IUPAC name of 4-methyl-2-[(2S)-2-methyl-4-(pyridin-3-ylmethyl)piperazin-1-yl]-1,3-thiazole (CID 95354138) is 4-methyl-2-[(2S)-2-methyl-4-(pyridin-3-ylmethyl)piperazin-1-yl]-1,3-thiazole.
What is the SMILES notation for 4-methyl-2-[(2S)-2-methyl-4-(pyridin-3-ylmethyl)piperazin-1-yl]-1,3-thiazole?
The canonical SMILES for 4-methyl-2-[(2S)-2-methyl-4-(pyridin-3-ylmethyl)piperazin-1-yl]-1,3-thiazole is Cc1csc(N2CCN(Cc3cccnc3)C[C@@H]2C)n1.
What is the InChIKey of 4-methyl-2-[(2S)-2-methyl-4-(pyridin-3-ylmethyl)piperazin-1-yl]-1,3-thiazole?
The InChIKey is VVRWUYNBXFDQGL-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H20N4S/c1-12-11-20-15(17-12)19-7-6-18(9-13(19)2)10-14-4-3-5-16-8-14/h3-5,8,11,13H,6-7,9-10H2,1-2H3/t13-/m0/s1.
What are the key properties of 4-methyl-2-[(2S)-2-methyl-4-(pyridin-3-ylmethyl)piperazin-1-yl]-1,3-thiazole?
4-methyl-2-[(2S)-2-methyl-4-(pyridin-3-ylmethyl)piperazin-1-yl]-1,3-thiazole has a molecular weight of 288.42 g/mol, XLogP of 2.56, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[(2S)-2-methyl-4-(pyridin-3-ylmethyl)piperazin-1-yl]-1,3-thiazole is sourced from PubChem (CID 95354138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).