2-(cyclopropylmethyl)-1'-[(5-methyl-1,2-oxazol-3-yl)methyl]spiro[1,2-benzothiazole-3,3'-pyrrolidine] 1,1-dioxide

C19H23N3O3S — CID 134073364

IUPAC2-(cyclopropylmethyl)-1'-[(5-methyl-1,2-oxazol-3-yl)methyl]spiro[1,2-benzothiazole-3,3'-pyrrolidine] 1,1-dioxide
SMILESCc1cc(CN2CCC3(C2)c2ccccc2S(=O)(=O)N3CC2CC2)no1
InChIInChI=1S/C19H23N3O3S/c1-14-10-16(20-25-14)12-21-9-8-19(13-21)17-4-2-3-5-18(17)26(23,24)22(19)11-15-6-7-15/h2-5,10,15H,6-9,11-13H2,1H3
InChIKeySLTXITKMZJZEAO-UHFFFAOYSA-N
MW373.48 g/mol
LogP2.50
Rot. Bonds4

About 2-(cyclopropylmethyl)-1'-[(5-methyl-1,2-oxazol-3-yl)methyl]spiro[1,2-benzothiazole-3,3'-pyrrolidine] 1,1-dioxide

2-(cyclopropylmethyl)-1'-[(5-methyl-1,2-oxazol-3-yl)methyl]spiro[1,2-benzothiazole-3,3'-pyrrolidine] 1,1-dioxide (PubChem CID 134073364) has the molecular formula C19H23N3O3S and a molecular weight of 373.48 g/mol. Its IUPAC name is 2-(cyclopropylmethyl)-1'-[(5-methyl-1,2-oxazol-3-yl)methyl]spiro[1,2-benzothiazole-3,3'-pyrrolidine] 1,1-dioxide.

Molecular Properties

Compound Name2-(cyclopropylmethyl)-1'-[(5-methyl-1,2-oxazol-3-yl)methyl]spiro[1,2-benzothiazole-3,3'-pyrrolidine] 1,1-dioxide
PubChem CID134073364
Molecular FormulaC19H23N3O3S
Molecular Weight373.48 g/mol
Exact Mass373.15
IUPAC Name2-(cyclopropylmethyl)-1'-[(5-methyl-1,2-oxazol-3-yl)methyl]spiro[1,2-benzothiazole-3,3'-pyrrolidine] 1,1-dioxide
SMILESCc1cc(CN2CCC3(C2)c2ccccc2S(=O)(=O)N3CC2CC2)no1
InChIInChI=1S/C19H23N3O3S/c1-14-10-16(20-25-14)12-21-9-8-19(13-21)17-4-2-3-5-18(17)26(23,24)22(19)11-15-6-7-15/h2-5,10,15H,6-9,11-13H2,1H3
InChIKeySLTXITKMZJZEAO-UHFFFAOYSA-N
XLogP2.50
TPSA66.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(cyclopropylmethyl)-1'-(thiophen-3-ylmethyl)spiro[1,2-benzothiazole-3,3'-pyrrolidine] 1,1-dioxide
CID 134070009
[2-(cyclopropylmethyl)-1,1-dioxospiro[1,2-benzothiazole-3,3'-pyrrolidine]-1'-yl]-morpholin-4-ylmethanone
CID 134076850
1'-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-methylspiro[1,2-benzothiazole-3,3'-pyrrolidine] 1,1-dioxide
CID 134076576
2-[(3R)-1,1-dioxo-1'-(pyridin-4-ylmethyl)spiro[1,2-benzothiazole-3,3'-pyrrolidine]-2-yl]-N,N-dimethylethanamine
CID 97438671
2-[(2-methyl-1,3-thiazol-4-yl)methyl]-1'-(pyridin-3-ylmethyl)spiro[1,2-benzothiazole-3,3'-pyrrolidine] 1,1-dioxide
CID 134070038
1'-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-phenylspiro[indole-3,3'-pyrrolidine]-2-one
CID 134790656
1'-cyclopropylsulfonyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]spiro[1,2-benzothiazole-3,3'-pyrrolidine] 1,1-dioxide
CID 131650392
2-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,1-dioxo-1,2-benzothiazol-3-one
CID 2815174
[3-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidin-3-yl]methanamine
CID 120773260
3-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]-1,2-benzothiazole 1,1-dioxide
CID 75401983
2-(2-methoxyethyl)-1'-(1,3-thiazol-2-ylmethyl)spiro[1,2-benzothiazole-3,3'-pyrrolidine] 1,1-dioxide;2,2,2-trifluoroacetic acid
CID 118745063
(5S,6S)-9-[(5-methyl-1,2-oxazol-3-yl)methyl]-6-phenylmethoxy-1-oxa-9-azaspiro[4.5]decane
CID 110159273

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethyl)-1'-[(5-methyl-1,2-oxazol-3-yl)methyl]spiro[1,2-benzothiazole-3,3'-pyrrolidine] 1,1-dioxide?
The IUPAC name of 2-(cyclopropylmethyl)-1'-[(5-methyl-1,2-oxazol-3-yl)methyl]spiro[1,2-benzothiazole-3,3'-pyrrolidine] 1,1-dioxide (CID 134073364) is 2-(cyclopropylmethyl)-1'-[(5-methyl-1,2-oxazol-3-yl)methyl]spiro[1,2-benzothiazole-3,3'-pyrrolidine] 1,1-dioxide.
What is the SMILES notation for 2-(cyclopropylmethyl)-1'-[(5-methyl-1,2-oxazol-3-yl)methyl]spiro[1,2-benzothiazole-3,3'-pyrrolidine] 1,1-dioxide?
The canonical SMILES for 2-(cyclopropylmethyl)-1'-[(5-methyl-1,2-oxazol-3-yl)methyl]spiro[1,2-benzothiazole-3,3'-pyrrolidine] 1,1-dioxide is Cc1cc(CN2CCC3(C2)c2ccccc2S(=O)(=O)N3CC2CC2)no1.
What is the InChIKey of 2-(cyclopropylmethyl)-1'-[(5-methyl-1,2-oxazol-3-yl)methyl]spiro[1,2-benzothiazole-3,3'-pyrrolidine] 1,1-dioxide?
The InChIKey is SLTXITKMZJZEAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3S/c1-14-10-16(20-25-14)12-21-9-8-19(13-21)17-4-2-3-5-18(17)26(23,24)22(19)11-15-6-7-15/h2-5,10,15H,6-9,11-13H2,1H3.
What are the key properties of 2-(cyclopropylmethyl)-1'-[(5-methyl-1,2-oxazol-3-yl)methyl]spiro[1,2-benzothiazole-3,3'-pyrrolidine] 1,1-dioxide?
2-(cyclopropylmethyl)-1'-[(5-methyl-1,2-oxazol-3-yl)methyl]spiro[1,2-benzothiazole-3,3'-pyrrolidine] 1,1-dioxide has a molecular weight of 373.48 g/mol, XLogP of 2.50, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethyl)-1'-[(5-methyl-1,2-oxazol-3-yl)methyl]spiro[1,2-benzothiazole-3,3'-pyrrolidine] 1,1-dioxide is sourced from PubChem (CID 134073364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).