(1-methylspiro[4H-imidazo[2,1-d][1,5]benzoxazepine-5,4'-piperidine]-1'-yl)-(thiadiazol-4-yl)methanone

C19H19N5O2S — CID 131689335

IUPAC(1-methylspiro[4H-imidazo[2,1-d][1,5]benzoxazepine-5,4'-piperidine]-1'-yl)-(thiadiazol-4-yl)methanone
SMILESCc1cnc2n1-c1ccccc1OC1(CCN(C(=O)c3csnn3)CC1)C2
InChIInChI=1S/C19H19N5O2S/c1-13-11-20-17-10-19(26-16-5-3-2-4-15(16)24(13)17)6-8-23(9-7-19)18(25)14-12-27-22-21-14/h2-5,11-12H,6-10H2,1H3
InChIKeyHGLOJLBVGCVLCI-UHFFFAOYSA-N
MW381.46 g/mol
LogP2.64
Rot. Bonds1

About (1-methylspiro[4H-imidazo[2,1-d][1,5]benzoxazepine-5,4'-piperidine]-1'-yl)-(thiadiazol-4-yl)methanone

(1-methylspiro[4H-imidazo[2,1-d][1,5]benzoxazepine-5,4'-piperidine]-1'-yl)-(thiadiazol-4-yl)methanone (PubChem CID 131689335) has the molecular formula C19H19N5O2S and a molecular weight of 381.46 g/mol. Its IUPAC name is (1-methylspiro[4H-imidazo[2,1-d][1,5]benzoxazepine-5,4'-piperidine]-1'-yl)-(thiadiazol-4-yl)methanone.

Molecular Properties

Compound Name(1-methylspiro[4H-imidazo[2,1-d][1,5]benzoxazepine-5,4'-piperidine]-1'-yl)-(thiadiazol-4-yl)methanone
PubChem CID131689335
Molecular FormulaC19H19N5O2S
Molecular Weight381.46 g/mol
Exact Mass381.13
IUPAC Name(1-methylspiro[4H-imidazo[2,1-d][1,5]benzoxazepine-5,4'-piperidine]-1'-yl)-(thiadiazol-4-yl)methanone
SMILESCc1cnc2n1-c1ccccc1OC1(CCN(C(=O)c3csnn3)CC1)C2
InChIInChI=1S/C19H19N5O2S/c1-13-11-20-17-10-19(26-16-5-3-2-4-15(16)24(13)17)6-8-23(9-7-19)18(25)14-12-27-22-21-14/h2-5,11-12H,6-10H2,1H3
InChIKeyHGLOJLBVGCVLCI-UHFFFAOYSA-N
XLogP2.64
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.46
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(1-methylspiro[4H-imidazo[2,1-d][1,5]benzoxazepine-5,4'-piperidine]-1'-yl)-(1H-pyrazol-5-yl)methanone
CID 131689336
(5-methylfuran-2-yl)-spiro[4H-imidazo[2,1-d][1,5]benzoxazepine-5,4'-piperidine]-1'-ylmethanone
CID 131691235
1,4-dioxa-8-azaspiro[4.5]decan-8-yl(thiadiazol-4-yl)methanone
CID 47325499
6'-methyl-1-(thiadiazole-4-carbonyl)spiro[piperidine-4,7'-pyrrolo[3,4-b]pyridine]-5'-one
CID 131690880
2-methyl-N-[8-(thiadiazole-4-carbonyl)-1-oxa-8-azaspiro[4.5]decan-3-yl]propanamide
CID 131686661
1,4-dimethyl-9-(thiadiazole-4-carbonyl)-1,4,9-triazaspiro[5.5]undecan-5-one
CID 97398682
4-ethyl-1-(thiadiazole-4-carbonyl)piperidine-4-carboxylic acid
CID 65214766
1'-(6-chloropyridine-3-carbonyl)-5-phenylspiro[3H-1,5-benzoxazepine-2,4'-piperidine]-4-one
CID 134792424
(3-ethyl-1-oxa-7-azaspiro[4.4]nonan-7-yl)-(thiadiazol-4-yl)methanone
CID 131687649
1'-[1-(difluoromethyl)-5-methylpyrazole-3-carbonyl]spiro[3H-chromene-2,4'-azepane]-4-one
CID 164697723
(5-methyl-2-pyridinyl)-[1'-(trifluoromethyl)spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl]methanone
CID 54671023
6,7-dimethyl-1'-(pyrazine-2-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108735032

Frequently Asked Questions

What is the IUPAC name of (1-methylspiro[4H-imidazo[2,1-d][1,5]benzoxazepine-5,4'-piperidine]-1'-yl)-(thiadiazol-4-yl)methanone?
The IUPAC name of (1-methylspiro[4H-imidazo[2,1-d][1,5]benzoxazepine-5,4'-piperidine]-1'-yl)-(thiadiazol-4-yl)methanone (CID 131689335) is (1-methylspiro[4H-imidazo[2,1-d][1,5]benzoxazepine-5,4'-piperidine]-1'-yl)-(thiadiazol-4-yl)methanone.
What is the SMILES notation for (1-methylspiro[4H-imidazo[2,1-d][1,5]benzoxazepine-5,4'-piperidine]-1'-yl)-(thiadiazol-4-yl)methanone?
The canonical SMILES for (1-methylspiro[4H-imidazo[2,1-d][1,5]benzoxazepine-5,4'-piperidine]-1'-yl)-(thiadiazol-4-yl)methanone is Cc1cnc2n1-c1ccccc1OC1(CCN(C(=O)c3csnn3)CC1)C2.
What is the InChIKey of (1-methylspiro[4H-imidazo[2,1-d][1,5]benzoxazepine-5,4'-piperidine]-1'-yl)-(thiadiazol-4-yl)methanone?
The InChIKey is HGLOJLBVGCVLCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O2S/c1-13-11-20-17-10-19(26-16-5-3-2-4-15(16)24(13)17)6-8-23(9-7-19)18(25)14-12-27-22-21-14/h2-5,11-12H,6-10H2,1H3.
What are the key properties of (1-methylspiro[4H-imidazo[2,1-d][1,5]benzoxazepine-5,4'-piperidine]-1'-yl)-(thiadiazol-4-yl)methanone?
(1-methylspiro[4H-imidazo[2,1-d][1,5]benzoxazepine-5,4'-piperidine]-1'-yl)-(thiadiazol-4-yl)methanone has a molecular weight of 381.46 g/mol, XLogP of 2.64, 1 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylspiro[4H-imidazo[2,1-d][1,5]benzoxazepine-5,4'-piperidine]-1'-yl)-(thiadiazol-4-yl)methanone is sourced from PubChem (CID 131689335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).