[2-(piperidine-1-carbonyl)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl]-(thiadiazol-4-yl)methanone

C16H19N5O2S2 — CID 131690381

IUPAC[2-(piperidine-1-carbonyl)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl]-(thiadiazol-4-yl)methanone
SMILESO=C(c1csnn1)N1CCc2nc(C(=O)N3CCCCC3)sc2CC1
InChIInChI=1S/C16H19N5O2S2/c22-15(12-10-24-19-18-12)21-8-4-11-13(5-9-21)25-14(17-11)16(23)20-6-2-1-3-7-20/h10H,1-9H2
InChIKeyPOWFEEAKWYRJQL-UHFFFAOYSA-N
MW377.50 g/mol
LogP1.86
Rot. Bonds2

About [2-(piperidine-1-carbonyl)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl]-(thiadiazol-4-yl)methanone

[2-(piperidine-1-carbonyl)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl]-(thiadiazol-4-yl)methanone (PubChem CID 131690381) has the molecular formula C16H19N5O2S2 and a molecular weight of 377.50 g/mol. Its IUPAC name is [2-(piperidine-1-carbonyl)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl]-(thiadiazol-4-yl)methanone.

Molecular Properties

Compound Name[2-(piperidine-1-carbonyl)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl]-(thiadiazol-4-yl)methanone
PubChem CID131690381
Molecular FormulaC16H19N5O2S2
Molecular Weight377.50 g/mol
Exact Mass377.10
IUPAC Name[2-(piperidine-1-carbonyl)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl]-(thiadiazol-4-yl)methanone
SMILESO=C(c1csnn1)N1CCc2nc(C(=O)N3CCCCC3)sc2CC1
InChIInChI=1S/C16H19N5O2S2/c22-15(12-10-24-19-18-12)21-8-4-11-13(5-9-21)25-14(17-11)16(23)20-6-2-1-3-7-20/h10H,1-9H2
InChIKeyPOWFEEAKWYRJQL-UHFFFAOYSA-N
XLogP1.86
TPSA79.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.50
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

pyridin-3-yl-[2-(pyrrolidine-1-carbonyl)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl]methanone
CID 97442557
(4-chloropiperidin-1-yl)-(thiadiazol-4-yl)methanone
CID 65216412
1,4-diazepan-1-yl(thiadiazol-4-yl)methanone
CID 65214276
[6-[(3-methoxyphenyl)methyl]-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-2-yl]-piperidin-1-ylmethanone
CID 97442532
N,N-dimethyl-6-(2-methyl-1,3-thiazole-4-carbonyl)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepine-2-carboxamide
CID 131690468
1-(thiadiazole-4-carbonyl)piperidine-3,4-dicarboxylic acid
CID 112567973
1,4-dioxa-8-azaspiro[4.5]decan-8-yl(thiadiazol-4-yl)methanone
CID 47325499
methyl 2-methyl-7-(thiadiazole-4-carbonyl)-5,6,8,9-tetrahydropyrido[2,3-d]azepine-3-carboxylate
CID 131687945
[2-(3-methoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-(thiadiazol-4-yl)methanone
CID 92628891
2,2-dimethyl-1-[4-(thiadiazole-4-carbonyl)piperazin-1-yl]propan-1-one
CID 154781945
(4-propan-2-ylpiperazin-1-yl)-(thiadiazol-4-yl)methanone
CID 166703611
N,N-dimethyl-6-(5-methyl-1,2-oxazole-3-carbonyl)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepine-2-carboxamide
CID 97410610

Frequently Asked Questions

What is the IUPAC name of [2-(piperidine-1-carbonyl)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl]-(thiadiazol-4-yl)methanone?
The IUPAC name of [2-(piperidine-1-carbonyl)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl]-(thiadiazol-4-yl)methanone (CID 131690381) is [2-(piperidine-1-carbonyl)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl]-(thiadiazol-4-yl)methanone.
What is the SMILES notation for [2-(piperidine-1-carbonyl)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl]-(thiadiazol-4-yl)methanone?
The canonical SMILES for [2-(piperidine-1-carbonyl)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl]-(thiadiazol-4-yl)methanone is O=C(c1csnn1)N1CCc2nc(C(=O)N3CCCCC3)sc2CC1.
What is the InChIKey of [2-(piperidine-1-carbonyl)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl]-(thiadiazol-4-yl)methanone?
The InChIKey is POWFEEAKWYRJQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O2S2/c22-15(12-10-24-19-18-12)21-8-4-11-13(5-9-21)25-14(17-11)16(23)20-6-2-1-3-7-20/h10H,1-9H2.
What are the key properties of [2-(piperidine-1-carbonyl)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl]-(thiadiazol-4-yl)methanone?
[2-(piperidine-1-carbonyl)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl]-(thiadiazol-4-yl)methanone has a molecular weight of 377.50 g/mol, XLogP of 1.86, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(piperidine-1-carbonyl)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl]-(thiadiazol-4-yl)methanone is sourced from PubChem (CID 131690381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).