(2R)-2-[(3S)-3-methyl-4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one

C16H26N4OS — CID 98763895

IUPAC(2R)-2-[(3S)-3-methyl-4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one
SMILESCc1csc(N2CCN([C@H](C)C(=O)N3CCCC3)C[C@@H]2C)n1
InChIInChI=1S/C16H26N4OS/c1-12-11-22-16(17-12)20-9-8-19(10-13(20)2)14(3)15(21)18-6-4-5-7-18/h11,13-14H,4-10H2,1-3H3/t13-,14+/m0/s1
InChIKeyUOEWNCCYBJPABO-UONOGXRCSA-N
MW322.48 g/mol
LogP1.97
Rot. Bonds3

About (2R)-2-[(3S)-3-methyl-4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one

(2R)-2-[(3S)-3-methyl-4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one (PubChem CID 98763895) has the molecular formula C16H26N4OS and a molecular weight of 322.48 g/mol. Its IUPAC name is (2R)-2-[(3S)-3-methyl-4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name(2R)-2-[(3S)-3-methyl-4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one
PubChem CID98763895
Molecular FormulaC16H26N4OS
Molecular Weight322.48 g/mol
Exact Mass322.18
IUPAC Name(2R)-2-[(3S)-3-methyl-4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one
SMILESCc1csc(N2CCN([C@H](C)C(=O)N3CCCC3)C[C@@H]2C)n1
InChIInChI=1S/C16H26N4OS/c1-12-11-22-16(17-12)20-9-8-19(10-13(20)2)14(3)15(21)18-6-4-5-7-18/h11,13-14H,4-10H2,1-3H3/t13-,14+/m0/s1
InChIKeyUOEWNCCYBJPABO-UONOGXRCSA-N
XLogP1.97
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.48
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-[(3S)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 98761813
N-(2-cyanoethyl)-N-methyl-2-[(3S)-3-methyl-4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]acetamide
CID 95336364
N,N-bis(cyanomethyl)-3-[(3S)-3-methyl-4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]propanamide
CID 95345224
(3R)-1-(4-methyl-1,3-thiazol-2-yl)piperidine-3-carboxylic acid
CID 30078408
methyl 1-(4-methyl-1,3-thiazol-2-yl)piperidine-2-carboxylate
CID 115538300
(2R)-2-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 124752724
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
N-(2,6-difluorophenyl)-2-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]propanamide
CID 47542745
2-amino-2-[2-(2-methylpiperidin-1-yl)-1,3-thiazol-4-yl]acetic acid
CID 104527460
cyclohexyl-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 110710911
N-(1-cyano-1-cyclopropylethyl)-2-[3-methyl-4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]acetamide
CID 56778651

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(3S)-3-methyl-4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of (2R)-2-[(3S)-3-methyl-4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one (CID 98763895) is (2R)-2-[(3S)-3-methyl-4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for (2R)-2-[(3S)-3-methyl-4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for (2R)-2-[(3S)-3-methyl-4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one is Cc1csc(N2CCN([C@H](C)C(=O)N3CCCC3)C[C@@H]2C)n1.
What is the InChIKey of (2R)-2-[(3S)-3-methyl-4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one?
The InChIKey is UOEWNCCYBJPABO-UONOGXRCSA-N. The full InChI is InChI=1S/C16H26N4OS/c1-12-11-22-16(17-12)20-9-8-19(10-13(20)2)14(3)15(21)18-6-4-5-7-18/h11,13-14H,4-10H2,1-3H3/t13-,14+/m0/s1.
What are the key properties of (2R)-2-[(3S)-3-methyl-4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one?
(2R)-2-[(3S)-3-methyl-4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one has a molecular weight of 322.48 g/mol, XLogP of 1.97, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(3S)-3-methyl-4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 98763895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).