7a-methyl-3-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazine-1-carbonyl]-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazol-5-one

C17H24N4O3S — CID 134063501

IUPAC7a-methyl-3-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazine-1-carbonyl]-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazol-5-one
SMILESCc1cc(CN2CCN(C(=O)C3CSC4(C)CCC(=O)N34)CC2)on1
InChIInChI=1S/C17H24N4O3S/c1-12-9-13(24-18-12)10-19-5-7-20(8-6-19)16(23)14-11-25-17(2)4-3-15(22)21(14)17/h9,14H,3-8,10-11H2,1-2H3
InChIKeyZJOPPMNPTJIWQS-UHFFFAOYSA-N
MW364.47 g/mol
LogP1.08
Rot. Bonds3

About 7a-methyl-3-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazine-1-carbonyl]-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazol-5-one

7a-methyl-3-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazine-1-carbonyl]-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazol-5-one (PubChem CID 134063501) has the molecular formula C17H24N4O3S and a molecular weight of 364.47 g/mol. Its IUPAC name is 7a-methyl-3-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazine-1-carbonyl]-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazol-5-one.

Molecular Properties

Compound Name7a-methyl-3-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazine-1-carbonyl]-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazol-5-one
PubChem CID134063501
Molecular FormulaC17H24N4O3S
Molecular Weight364.47 g/mol
Exact Mass364.16
IUPAC Name7a-methyl-3-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazine-1-carbonyl]-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazol-5-one
SMILESCc1cc(CN2CCN(C(=O)C3CSC4(C)CCC(=O)N34)CC2)on1
InChIInChI=1S/C17H24N4O3S/c1-12-9-13(24-18-12)10-19-5-7-20(8-6-19)16(23)14-11-25-17(2)4-3-15(22)21(14)17/h9,14H,3-8,10-11H2,1-2H3
InChIKeyZJOPPMNPTJIWQS-UHFFFAOYSA-N
XLogP1.08
TPSA69.89 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.47
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

7a-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide
CID 48731548
(3S,7aR)-7a-methyl-3-(piperidine-1-carbonyl)-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazol-5-one
CID 94335737
(1-methylcyclopentyl)-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]methanone
CID 134039040
2-[4-(7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carbonyl)piperazin-1-yl]-N-prop-2-enylacetamide
CID 55451861
(3R,7aR)-3-[4-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-1,4-diazepane-1-carbonyl]-7a-methyl-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazol-5-one
CID 95774663
[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-(1,3-thiazolidin-4-yl)methanone;dihydrochloride
CID 119399338
(4R)-1-cyclopropyl-4-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazine-1-carbonyl]pyrrolidin-2-one
CID 94017125
2-amino-2-methyl-1-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]propan-1-one
CID 61264451
[(2S)-2,3-dihydro-1-benzothiophen-2-yl]-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]methanone
CID 99807109
2,3-dihydro-1-benzothiophen-2-yl-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]methanone
CID 51316290
(3R,7aS)-3-[4-(2,5-dichlorophenyl)sulfonylpiperazine-1-carbonyl]-7a-methyl-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazol-5-one
CID 32645019
2-amino-1-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]ethanone;dihydrochloride
CID 119399319

Frequently Asked Questions

What is the IUPAC name of 7a-methyl-3-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazine-1-carbonyl]-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazol-5-one?
The IUPAC name of 7a-methyl-3-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazine-1-carbonyl]-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazol-5-one (CID 134063501) is 7a-methyl-3-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazine-1-carbonyl]-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazol-5-one.
What is the SMILES notation for 7a-methyl-3-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazine-1-carbonyl]-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazol-5-one?
The canonical SMILES for 7a-methyl-3-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazine-1-carbonyl]-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazol-5-one is Cc1cc(CN2CCN(C(=O)C3CSC4(C)CCC(=O)N34)CC2)on1.
What is the InChIKey of 7a-methyl-3-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazine-1-carbonyl]-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazol-5-one?
The InChIKey is ZJOPPMNPTJIWQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O3S/c1-12-9-13(24-18-12)10-19-5-7-20(8-6-19)16(23)14-11-25-17(2)4-3-15(22)21(14)17/h9,14H,3-8,10-11H2,1-2H3.
What are the key properties of 7a-methyl-3-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazine-1-carbonyl]-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazol-5-one?
7a-methyl-3-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazine-1-carbonyl]-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazol-5-one has a molecular weight of 364.47 g/mol, XLogP of 1.08, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7a-methyl-3-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazine-1-carbonyl]-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazol-5-one is sourced from PubChem (CID 134063501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).