2-[(2R)-4-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-2-methylpiperazin-1-yl]-4-methyl-1,3-thiazole

C16H24N6S — CID 98763683

IUPAC2-[(2R)-4-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-2-methylpiperazin-1-yl]-4-methyl-1,3-thiazole
SMILESCc1csc(N2CCN(Cc3nnc(C4CC4)n3C)C[C@H]2C)n1
InChIInChI=1S/C16H24N6S/c1-11-10-23-16(17-11)22-7-6-21(8-12(22)2)9-14-18-19-15(20(14)3)13-4-5-13/h10,12-13H,4-9H2,1-3H3/t12-/m1/s1
InChIKeyQCMCLNPZBVCBOZ-GFCCVEGCSA-N
MW332.48 g/mol
LogP2.17
Rot. Bonds4

About 2-[(2R)-4-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-2-methylpiperazin-1-yl]-4-methyl-1,3-thiazole

2-[(2R)-4-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-2-methylpiperazin-1-yl]-4-methyl-1,3-thiazole (PubChem CID 98763683) has the molecular formula C16H24N6S and a molecular weight of 332.48 g/mol. Its IUPAC name is 2-[(2R)-4-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-2-methylpiperazin-1-yl]-4-methyl-1,3-thiazole.

Molecular Properties

Compound Name2-[(2R)-4-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-2-methylpiperazin-1-yl]-4-methyl-1,3-thiazole
PubChem CID98763683
Molecular FormulaC16H24N6S
Molecular Weight332.48 g/mol
Exact Mass332.18
IUPAC Name2-[(2R)-4-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-2-methylpiperazin-1-yl]-4-methyl-1,3-thiazole
SMILESCc1csc(N2CCN(Cc3nnc(C4CC4)n3C)C[C@H]2C)n1
InChIInChI=1S/C16H24N6S/c1-11-10-23-16(17-11)22-7-6-21(8-12(22)2)9-14-18-19-15(20(14)3)13-4-5-13/h10,12-13H,4-9H2,1-3H3/t12-/m1/s1
InChIKeyQCMCLNPZBVCBOZ-GFCCVEGCSA-N
XLogP2.17
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.48
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Launch Full Analysis

Related Compounds

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
4-methyl-2-[(2R)-2-methyl-4-(2-pyridin-4-ylethyl)piperazin-1-yl]-1,3-thiazole
CID 98761807
3,5-dimethyl-4-[[(3R)-3-methyl-4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]methyl]-1,2-oxazole
CID 124737120
4-methyl-2-[(2S)-2-methyl-4-(pyridin-3-ylmethyl)piperazin-1-yl]-1,3-thiazole
CID 95354138
(2S)-1-[(2S)-4-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-2-methylpiperazin-1-yl]propan-2-ol
CID 98767218
(2S)-1-[(2R)-4-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-2-methylpiperazin-1-yl]propan-2-ol
CID 124836078
1-[3-[(3R)-3-methyl-4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]propyl]pyrrolidin-2-one
CID 98761301
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
2-[4-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-1,4-diazepan-1-yl]-4-methyl-1,3-thiazole
CID 47543592

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-4-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-2-methylpiperazin-1-yl]-4-methyl-1,3-thiazole?
The IUPAC name of 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) is 2-[(2R)-4-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-2-methylpiperazin-1-yl]-4-methyl-1,3-thiazole.
What is the SMILES notation for 2-[(2R)-4-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-2-methylpiperazin-1-yl]-4-methyl-1,3-thiazole?
The canonical SMILES for 2-[(2R)-4-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-2-methylpiperazin-1-yl]-4-methyl-1,3-thiazole is Cc1csc(N2CCN(Cc3nnc(C4CC4)n3C)C[C@H]2C)n1.
What is the InChIKey of 2-[(2R)-4-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-2-methylpiperazin-1-yl]-4-methyl-1,3-thiazole?
The InChIKey is QCMCLNPZBVCBOZ-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H24N6S/c1-11-10-23-16(17-11)22-7-6-21(8-12(22)2)9-14-18-19-15(20(14)3)13-4-5-13/h10,12-13H,4-9H2,1-3H3/t12-/m1/s1.
What are the key properties of 2-[(2R)-4-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-2-methylpiperazin-1-yl]-4-methyl-1,3-thiazole?
2-[(2R)-4-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-2-methylpiperazin-1-yl]-4-methyl-1,3-thiazole has a molecular weight of 332.48 g/mol, XLogP of 2.17, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-4-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-2-methylpiperazin-1-yl]-4-methyl-1,3-thiazole is sourced from PubChem (CID 98763683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).