(2-methylpyrrolidin-3-yl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone

C13H20N4OS — CID 79382749

IUPAC(2-methylpyrrolidin-3-yl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
SMILESCC1NCCC1C(=O)N1CCN(c2nccs2)CC1
InChIInChI=1S/C13H20N4OS/c1-10-11(2-3-14-10)12(18)16-5-7-17(8-6-16)13-15-4-9-19-13/h4,9-11,14H,2-3,5-8H2,1H3
InChIKeyQTYLKVGKQNXTQR-UHFFFAOYSA-N
MW280.40 g/mol
LogP0.79
Rot. Bonds2

About (2-methylpyrrolidin-3-yl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone

(2-methylpyrrolidin-3-yl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone (PubChem CID 79382749) has the molecular formula C13H20N4OS and a molecular weight of 280.40 g/mol. Its IUPAC name is (2-methylpyrrolidin-3-yl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2-methylpyrrolidin-3-yl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
PubChem CID79382749
Molecular FormulaC13H20N4OS
Molecular Weight280.40 g/mol
Exact Mass280.14
IUPAC Name(2-methylpyrrolidin-3-yl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
SMILESCC1NCCC1C(=O)N1CCN(c2nccs2)CC1
InChIInChI=1S/C13H20N4OS/c1-10-11(2-3-14-10)12(18)16-5-7-17(8-6-16)13-15-4-9-19-13/h4,9-11,14H,2-3,5-8H2,1H3
InChIKeyQTYLKVGKQNXTQR-UHFFFAOYSA-N
XLogP0.79
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.40
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

cyclopropyl-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 53498835
[(2S,4S)-2-methylpiperidin-4-yl]-[4-(1,3-thiazol-2-yl)-1,4-diazepan-1-yl]methanone
CID 120634143
[(3R,4S)-4-hydroxy-1-methylpiperidin-3-yl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 163311834
(2-phenylcyclopropyl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 56819702
2-[4-[(2-methylpyrrolidin-3-yl)methyl]piperazin-1-yl]-1,3-thiazole
CID 79385029
[(1S,2S)-2-(4-methoxyphenyl)cyclopropyl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 95274950
1-[(2R)-2-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]pyrrolidin-1-yl]ethanone
CID 94551535
1-[(2S)-2-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]pyrrolidin-1-yl]ethanone
CID 75479662
1,3-thiazol-5-yl-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 73439229
[(2S)-oxolan-2-yl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 95129829
[(1S,2S)-2-(1-methylpyrazol-4-yl)cyclopropyl]-[4-(1,3-thiazol-2-yl)-1,4-diazepan-1-yl]methanone
CID 95590974
piperidin-3-yl-[4-(1,3-thiazol-2-yl)-1,4-diazepan-1-yl]methanone;dihydrochloride
CID 119863925

Frequently Asked Questions

What is the IUPAC name of (2-methylpyrrolidin-3-yl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone?
The IUPAC name of (2-methylpyrrolidin-3-yl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone (CID 79382749) is (2-methylpyrrolidin-3-yl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone.
What is the SMILES notation for (2-methylpyrrolidin-3-yl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone?
The canonical SMILES for (2-methylpyrrolidin-3-yl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone is CC1NCCC1C(=O)N1CCN(c2nccs2)CC1.
What is the InChIKey of (2-methylpyrrolidin-3-yl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone?
The InChIKey is QTYLKVGKQNXTQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4OS/c1-10-11(2-3-14-10)12(18)16-5-7-17(8-6-16)13-15-4-9-19-13/h4,9-11,14H,2-3,5-8H2,1H3.
What are the key properties of (2-methylpyrrolidin-3-yl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone?
(2-methylpyrrolidin-3-yl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone has a molecular weight of 280.40 g/mol, XLogP of 0.79, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylpyrrolidin-3-yl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 79382749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).