[(3R,4S)-3-(dimethylamino)-4-propan-2-ylpyrrolidin-1-yl]-[2-(methylamino)-1,3-thiazol-4-yl]methanone

C14H24N4OS — CID 72938942

IUPAC[(3R,4S)-3-(dimethylamino)-4-propan-2-ylpyrrolidin-1-yl]-[2-(methylamino)-1,3-thiazol-4-yl]methanone
SMILESCNc1nc(C(=O)N2C[C@H](C(C)C)[C@@H](N(C)C)C2)cs1
InChIInChI=1S/C14H24N4OS/c1-9(2)10-6-18(7-12(10)17(4)5)13(19)11-8-20-14(15-3)16-11/h8-10,12H,6-7H2,1-5H3,(H,15,16)/t10-,12+/m1/s1
InChIKeyIZCQXPCWHVLMHD-PWSUYJOCSA-N
MW296.44 g/mol
LogP1.84
Rot. Bonds4

About [(3R,4S)-3-(dimethylamino)-4-propan-2-ylpyrrolidin-1-yl]-[2-(methylamino)-1,3-thiazol-4-yl]methanone

[(3R,4S)-3-(dimethylamino)-4-propan-2-ylpyrrolidin-1-yl]-[2-(methylamino)-1,3-thiazol-4-yl]methanone (PubChem CID 72938942) has the molecular formula C14H24N4OS and a molecular weight of 296.44 g/mol. Its IUPAC name is [(3R,4S)-3-(dimethylamino)-4-propan-2-ylpyrrolidin-1-yl]-[2-(methylamino)-1,3-thiazol-4-yl]methanone.

Molecular Properties

Compound Name[(3R,4S)-3-(dimethylamino)-4-propan-2-ylpyrrolidin-1-yl]-[2-(methylamino)-1,3-thiazol-4-yl]methanone
PubChem CID72938942
Molecular FormulaC14H24N4OS
Molecular Weight296.44 g/mol
Exact Mass296.17
IUPAC Name[(3R,4S)-3-(dimethylamino)-4-propan-2-ylpyrrolidin-1-yl]-[2-(methylamino)-1,3-thiazol-4-yl]methanone
SMILESCNc1nc(C(=O)N2C[C@H](C(C)C)[C@@H](N(C)C)C2)cs1
InChIInChI=1S/C14H24N4OS/c1-9(2)10-6-18(7-12(10)17(4)5)13(19)11-8-20-14(15-3)16-11/h8-10,12H,6-7H2,1-5H3,(H,15,16)/t10-,12+/m1/s1
InChIKeyIZCQXPCWHVLMHD-PWSUYJOCSA-N
XLogP1.84
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(methylamino)-1,3-thiazol-4-yl]-piperazin-1-ylmethanone
CID 82509879
N-[4-(3,4-dihydroxypyrrolidine-1-carbonyl)-1,3-thiazol-2-yl]acetamide
CID 106671767
[2-(methylamino)-1,3-thiazol-4-yl]-[4-[1-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]methanone
CID 70745608
[(3R)-3-hydroxy-3,4,4-trimethylpyrrolidin-1-yl]-[2-(methylamino)-1,3-thiazol-4-yl]methanone
CID 72941054
2-methyl-1-[2-(methylamino)-1,3-thiazol-4-yl]propan-1-one
CID 89257366
[(3S,4R)-3-(dimethylamino)-4-propan-2-ylpyrrolidin-1-yl]-(2-methyl-3-pyridinyl)methanone
CID 72851131
[3-(hydroxymethyl)-4-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-[2-(methylamino)-1,3-thiazol-4-yl]methanone
CID 156603607
[(3S,4R)-3-(dimethylamino)-4-propan-2-ylpyrrolidin-1-yl]-(2,5-dimethylfuran-3-yl)methanone
CID 72936361
[(3S,4R)-3-(dimethylamino)-4-propan-2-ylpyrrolidin-1-yl]-(1H-indol-6-yl)methanone
CID 72848895
1-(2,6-dimethylmorpholin-4-yl)-2-[4-[2-(methylamino)-1,3-thiazole-4-carbonyl]piperazin-1-yl]ethanone
CID 42876721
[(2S,6R)-2-(1,3-benzodioxol-5-yl)-6-phenylmorpholin-4-yl]-[2-(methylamino)-1,3-thiazol-4-yl]methanone
CID 155915678
[2-(1-aminoethyl)-1,3-thiazol-4-yl]-(3-hydroxyazetidin-1-yl)methanone
CID 107217663

Frequently Asked Questions

What is the IUPAC name of [(3R,4S)-3-(dimethylamino)-4-propan-2-ylpyrrolidin-1-yl]-[2-(methylamino)-1,3-thiazol-4-yl]methanone?
The IUPAC name of [(3R,4S)-3-(dimethylamino)-4-propan-2-ylpyrrolidin-1-yl]-[2-(methylamino)-1,3-thiazol-4-yl]methanone (CID 72938942) is [(3R,4S)-3-(dimethylamino)-4-propan-2-ylpyrrolidin-1-yl]-[2-(methylamino)-1,3-thiazol-4-yl]methanone.
What is the SMILES notation for [(3R,4S)-3-(dimethylamino)-4-propan-2-ylpyrrolidin-1-yl]-[2-(methylamino)-1,3-thiazol-4-yl]methanone?
The canonical SMILES for [(3R,4S)-3-(dimethylamino)-4-propan-2-ylpyrrolidin-1-yl]-[2-(methylamino)-1,3-thiazol-4-yl]methanone is CNc1nc(C(=O)N2C[C@H](C(C)C)[C@@H](N(C)C)C2)cs1.
What is the InChIKey of [(3R,4S)-3-(dimethylamino)-4-propan-2-ylpyrrolidin-1-yl]-[2-(methylamino)-1,3-thiazol-4-yl]methanone?
The InChIKey is IZCQXPCWHVLMHD-PWSUYJOCSA-N. The full InChI is InChI=1S/C14H24N4OS/c1-9(2)10-6-18(7-12(10)17(4)5)13(19)11-8-20-14(15-3)16-11/h8-10,12H,6-7H2,1-5H3,(H,15,16)/t10-,12+/m1/s1.
What are the key properties of [(3R,4S)-3-(dimethylamino)-4-propan-2-ylpyrrolidin-1-yl]-[2-(methylamino)-1,3-thiazol-4-yl]methanone?
[(3R,4S)-3-(dimethylamino)-4-propan-2-ylpyrrolidin-1-yl]-[2-(methylamino)-1,3-thiazol-4-yl]methanone has a molecular weight of 296.44 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4S)-3-(dimethylamino)-4-propan-2-ylpyrrolidin-1-yl]-[2-(methylamino)-1,3-thiazol-4-yl]methanone is sourced from PubChem (CID 72938942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).