(2R)-1-[4-(5,5-dimethyl-4H-1,3-thiazol-2-yl)piperazin-1-yl]-2-methyl-3-methylsulfanylpropan-1-one

C14H25N3OS2 — CID 97031255

IUPAC(2R)-1-[4-(5,5-dimethyl-4H-1,3-thiazol-2-yl)piperazin-1-yl]-2-methyl-3-methylsulfanylpropan-1-one
SMILESCSC[C@H](C)C(=O)N1CCN(C2=NCC(C)(C)S2)CC1
InChIInChI=1S/C14H25N3OS2/c1-11(9-19-4)12(18)16-5-7-17(8-6-16)13-15-10-14(2,3)20-13/h11H,5-10H2,1-4H3/t11-/m0/s1
InChIKeyAWZVNHXKAAROBY-NSHDSACASA-N
MW315.51 g/mol
LogP2.01
Rot. Bonds3

About (2R)-1-[4-(5,5-dimethyl-4H-1,3-thiazol-2-yl)piperazin-1-yl]-2-methyl-3-methylsulfanylpropan-1-one

(2R)-1-[4-(5,5-dimethyl-4H-1,3-thiazol-2-yl)piperazin-1-yl]-2-methyl-3-methylsulfanylpropan-1-one (PubChem CID 97031255) has the molecular formula C14H25N3OS2 and a molecular weight of 315.51 g/mol. Its IUPAC name is (2R)-1-[4-(5,5-dimethyl-4H-1,3-thiazol-2-yl)piperazin-1-yl]-2-methyl-3-methylsulfanylpropan-1-one.

Molecular Properties

Compound Name(2R)-1-[4-(5,5-dimethyl-4H-1,3-thiazol-2-yl)piperazin-1-yl]-2-methyl-3-methylsulfanylpropan-1-one
PubChem CID97031255
Molecular FormulaC14H25N3OS2
Molecular Weight315.51 g/mol
Exact Mass315.14
IUPAC Name(2R)-1-[4-(5,5-dimethyl-4H-1,3-thiazol-2-yl)piperazin-1-yl]-2-methyl-3-methylsulfanylpropan-1-one
SMILESCSC[C@H](C)C(=O)N1CCN(C2=NCC(C)(C)S2)CC1
InChIInChI=1S/C14H25N3OS2/c1-11(9-19-4)12(18)16-5-7-17(8-6-16)13-15-10-14(2,3)20-13/h11H,5-10H2,1-4H3/t11-/m0/s1
InChIKeyAWZVNHXKAAROBY-NSHDSACASA-N
XLogP2.01
TPSA35.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.51
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (2R)-1-[4-(5,5-dimethyl-4H-1,3-thiazol-2-yl)piperazin-1-yl]-2-methyl-3-methylsulfanylpropan-1-one with MolForge

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Launch Full Analysis

Related Compounds

[4-(5,5-dimethyl-4H-1,3-thiazol-2-yl)piperazin-1-yl]-(1-methyl-3-propan-2-ylpyrazol-5-yl)methanone
CID 71973410
4-hydroxy-1-(2-methyl-3-methylsulfanylpropanoyl)piperidine-4-carboxylic acid
CID 119251353
[4-(5,5-dimethyl-4H-1,3-thiazol-2-yl)piperazin-1-yl]-[(1S,2S)-2-phenylcyclopropyl]methanone
CID 100620299
1-[4-(2,2-difluoro-3-hydroxypropyl)piperazin-1-yl]-2-methyl-3-methylsulfanylpropan-1-one
CID 126834572
1-(aziridin-1-yl)-2-methylbutan-1-one
CID 131176339
1-(aziridin-1-yl)-2-methylsulfanylethanone
CID 130677613
1-[(3R)-3-aminopyrrolidin-1-yl]-2-methyl-3-methylsulfanylpropan-1-one;hydrochloride
CID 119410118
1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-methyl-3-methylsulfanylpropan-1-one;hydrochloride
CID 119622420
N-(1-cyanocyclobutyl)-N-methyl-1-[(2R)-2-methyl-3-methylsulfanylpropanoyl]piperidine-4-carboxamide
CID 124889220
(2S)-2-methyl-1-[(3R)-4-methyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-3-methylsulfanylpropan-1-one
CID 129478886
1-[3-(aminomethyl)pyrrolidin-1-yl]-2-methyl-3-methylsulfanylpropan-1-one;hydrochloride
CID 119484101
2-methyl-1-[3-(methylaminomethyl)piperidin-1-yl]-3-methylsulfanylpropan-1-one;hydrochloride
CID 119395667

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[4-(5,5-dimethyl-4H-1,3-thiazol-2-yl)piperazin-1-yl]-2-methyl-3-methylsulfanylpropan-1-one?
The IUPAC name of (2R)-1-[4-(5,5-dimethyl-4H-1,3-thiazol-2-yl)piperazin-1-yl]-2-methyl-3-methylsulfanylpropan-1-one (CID 97031255) is (2R)-1-[4-(5,5-dimethyl-4H-1,3-thiazol-2-yl)piperazin-1-yl]-2-methyl-3-methylsulfanylpropan-1-one.
What is the SMILES notation for (2R)-1-[4-(5,5-dimethyl-4H-1,3-thiazol-2-yl)piperazin-1-yl]-2-methyl-3-methylsulfanylpropan-1-one?
The canonical SMILES for (2R)-1-[4-(5,5-dimethyl-4H-1,3-thiazol-2-yl)piperazin-1-yl]-2-methyl-3-methylsulfanylpropan-1-one is CSC[C@H](C)C(=O)N1CCN(C2=NCC(C)(C)S2)CC1.
What is the InChIKey of (2R)-1-[4-(5,5-dimethyl-4H-1,3-thiazol-2-yl)piperazin-1-yl]-2-methyl-3-methylsulfanylpropan-1-one?
The InChIKey is AWZVNHXKAAROBY-NSHDSACASA-N. The full InChI is InChI=1S/C14H25N3OS2/c1-11(9-19-4)12(18)16-5-7-17(8-6-16)13-15-10-14(2,3)20-13/h11H,5-10H2,1-4H3/t11-/m0/s1.
What are the key properties of (2R)-1-[4-(5,5-dimethyl-4H-1,3-thiazol-2-yl)piperazin-1-yl]-2-methyl-3-methylsulfanylpropan-1-one?
(2R)-1-[4-(5,5-dimethyl-4H-1,3-thiazol-2-yl)piperazin-1-yl]-2-methyl-3-methylsulfanylpropan-1-one has a molecular weight of 315.51 g/mol, XLogP of 2.01, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[4-(5,5-dimethyl-4H-1,3-thiazol-2-yl)piperazin-1-yl]-2-methyl-3-methylsulfanylpropan-1-one is sourced from PubChem (CID 97031255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).