4-methyl-2-[(2R)-2-methyl-4-(2-pyridin-4-ylethyl)piperazin-1-yl]-1,3-thiazole

C16H22N4S — CID 98761807

IUPAC4-methyl-2-[(2R)-2-methyl-4-(2-pyridin-4-ylethyl)piperazin-1-yl]-1,3-thiazole
SMILESCc1csc(N2CCN(CCc3ccncc3)C[C@H]2C)n1
InChIInChI=1S/C16H22N4S/c1-13-12-21-16(18-13)20-10-9-19(11-14(20)2)8-5-15-3-6-17-7-4-15/h3-4,6-7,12,14H,5,8-11H2,1-2H3/t14-/m1/s1
InChIKeyRSLQAWKSYPTRRP-CQSZACIVSA-N
MW302.45 g/mol
LogP2.60
Rot. Bonds4

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

4-methyl-2-[(2R)-2-methyl-4-(2-pyridin-4-ylethyl)piperazin-1-yl]-1,3-thiazole (PubChem CID 98761807) has the molecular formula C16H22N4S and a molecular weight of 302.45 g/mol. Its IUPAC name is 4-methyl-2-[(2R)-2-methyl-4-(2-pyridin-4-ylethyl)piperazin-1-yl]-1,3-thiazole.

Molecular Properties

Compound Name4-methyl-2-[(2R)-2-methyl-4-(2-pyridin-4-ylethyl)piperazin-1-yl]-1,3-thiazole
PubChem CID98761807
Molecular FormulaC16H22N4S
Molecular Weight302.45 g/mol
Exact Mass302.16
IUPAC Name4-methyl-2-[(2R)-2-methyl-4-(2-pyridin-4-ylethyl)piperazin-1-yl]-1,3-thiazole
SMILESCc1csc(N2CCN(CCc3ccncc3)C[C@H]2C)n1
InChIInChI=1S/C16H22N4S/c1-13-12-21-16(18-13)20-10-9-19(11-14(20)2)8-5-15-3-6-17-7-4-15/h3-4,6-7,12,14H,5,8-11H2,1-2H3/t14-/m1/s1
InChIKeyRSLQAWKSYPTRRP-CQSZACIVSA-N
XLogP2.60
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.45
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-2-[(2S)-2-methyl-4-(pyridin-3-ylmethyl)piperazin-1-yl]-1,3-thiazole
CID 95354138
1-[3-[(3R)-3-methyl-4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]propyl]pyrrolidin-2-one
CID 98761301
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
5-chloro-4-[[3-methyl-4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]methyl]thiadiazole
CID 56778653
5-chloro-4-[[(3S)-3-methyl-4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]methyl]thiadiazole
CID 95602008
2-methyl-5-[[(3R)-3-methyl-4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]methyl]-1,3-thiazole
CID 124801255
3,5-dimethyl-4-[[(3R)-3-methyl-4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]methyl]-1,2-oxazole
CID 124737120
N,N-bis(cyanomethyl)-3-[(3S)-3-methyl-4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]propanamide
CID 95345224
N-(2-cyanoethyl)-N-methyl-2-[(3S)-3-methyl-4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]acetamide
CID 95336364
(2R)-1-[(2R)-2-methyl-4-(2-pyridin-4-ylethyl)piperazin-1-yl]propan-2-ol
CID 95610921
4-methyl-2-[(2S)-2-methyl-4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]-1,3-thiazole
CID 95336098
[1-(2-pyridin-4-ylethyl)pyrrolidin-3-yl]methanamine
CID 60904509

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[(2R)-2-methyl-4-(2-pyridin-4-ylethyl)piperazin-1-yl]-1,3-thiazole?
The IUPAC name of 4-methyl-2-[(2R)-2-methyl-4-(2-pyridin-4-ylethyl)piperazin-1-yl]-1,3-thiazole (CID 98761807) is 4-methyl-2-[(2R)-2-methyl-4-(2-pyridin-4-ylethyl)piperazin-1-yl]-1,3-thiazole.
What is the SMILES notation for 4-methyl-2-[(2R)-2-methyl-4-(2-pyridin-4-ylethyl)piperazin-1-yl]-1,3-thiazole?
The canonical SMILES for 4-methyl-2-[(2R)-2-methyl-4-(2-pyridin-4-ylethyl)piperazin-1-yl]-1,3-thiazole is Cc1csc(N2CCN(CCc3ccncc3)C[C@H]2C)n1.
What is the InChIKey of 4-methyl-2-[(2R)-2-methyl-4-(2-pyridin-4-ylethyl)piperazin-1-yl]-1,3-thiazole?
The InChIKey is RSLQAWKSYPTRRP-CQSZACIVSA-N. The full InChI is InChI=1S/C16H22N4S/c1-13-12-21-16(18-13)20-10-9-19(11-14(20)2)8-5-15-3-6-17-7-4-15/h3-4,6-7,12,14H,5,8-11H2,1-2H3/t14-/m1/s1.
What are the key properties of 4-methyl-2-[(2R)-2-methyl-4-(2-pyridin-4-ylethyl)piperazin-1-yl]-1,3-thiazole?
4-methyl-2-[(2R)-2-methyl-4-(2-pyridin-4-ylethyl)piperazin-1-yl]-1,3-thiazole has a molecular weight of 302.45 g/mol, XLogP of 2.60, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[(2R)-2-methyl-4-(2-pyridin-4-ylethyl)piperazin-1-yl]-1,3-thiazole is sourced from PubChem (CID 98761807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).