6-methyl-2-piperidin-4-yl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepine

C13H21N3S — CID 19969929

IUPAC6-methyl-2-piperidin-4-yl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepine
SMILESCN1CCc2nc(C3CCNCC3)sc2CC1
InChIInChI=1S/C13H21N3S/c1-16-8-4-11-12(5-9-16)17-13(15-11)10-2-6-14-7-3-10/h10,14H,2-9H2,1H3
InChIKeyQNNVMLDSNXCWAK-UHFFFAOYSA-N
MW251.40 g/mol
LogP1.64
Rot. Bonds1

About 6-methyl-2-piperidin-4-yl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepine

6-methyl-2-piperidin-4-yl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepine (PubChem CID 19969929) has the molecular formula C13H21N3S and a molecular weight of 251.40 g/mol. Its IUPAC name is 6-methyl-2-piperidin-4-yl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepine.

Molecular Properties

Compound Name6-methyl-2-piperidin-4-yl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepine
PubChem CID19969929
Molecular FormulaC13H21N3S
Molecular Weight251.40 g/mol
Exact Mass251.15
IUPAC Name6-methyl-2-piperidin-4-yl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepine
SMILESCN1CCc2nc(C3CCNCC3)sc2CC1
InChIInChI=1S/C13H21N3S/c1-16-8-4-11-12(5-9-16)17-13(15-11)10-2-6-14-7-3-10/h10,14H,2-9H2,1H3
InChIKeyQNNVMLDSNXCWAK-UHFFFAOYSA-N
XLogP1.64
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.40
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-2-piperidin-4-yl-4,6-dihydropyrrolo[3,4-d][1,3]thiazole
CID 96605170
2-(oxan-4-yl)-5,6,7,8-tetrahydro-4H-[1,3]thiazolo[4,5-d]azepine;hydrobromide
CID 162325589
2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine
CID 112681683
4,4-dimethyl-2-piperidin-4-yl-6,7-dihydro-5H-1,3-benzothiazole
CID 79836609
methyl 4-[[4-(5,6,7,8-tetrahydro-4H-[1,3]thiazolo[4,5-d]azepin-2-yl)piperidine-1-carbonyl]amino]cyclohexane-1-carboxylate
CID 19969930
2,2-dimethyl-1-[4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidin-1-yl]propan-1-one
CID 110289961
5-methyl-2-piperidin-4-yl-4,6,7,8-tetrahydrothieno[3,2-c]azepine
CID 82382650
1-[4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidin-1-yl]propan-1-one
CID 71683914
2-cyclohexyl-4-methyl-5-piperidin-4-yl-1,3-thiazole
CID 116885152
2-cyclopropyl-6,7-dihydro-4H-thiopyrano[4,3-d][1,3]thiazole 5,5-dioxide
CID 130511969
4-[6-(cyclobutadienyl)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-2-yl]piperidine-1-carboxylic acid
CID 68826497
3-[(3R)-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidin-1-yl]propane-1-sulfonamide
CID 124610046

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-piperidin-4-yl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepine?
The IUPAC name of 6-methyl-2-piperidin-4-yl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepine (CID 19969929) is 6-methyl-2-piperidin-4-yl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepine.
What is the SMILES notation for 6-methyl-2-piperidin-4-yl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepine?
The canonical SMILES for 6-methyl-2-piperidin-4-yl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepine is CN1CCc2nc(C3CCNCC3)sc2CC1.
What is the InChIKey of 6-methyl-2-piperidin-4-yl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepine?
The InChIKey is QNNVMLDSNXCWAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3S/c1-16-8-4-11-12(5-9-16)17-13(15-11)10-2-6-14-7-3-10/h10,14H,2-9H2,1H3.
What are the key properties of 6-methyl-2-piperidin-4-yl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepine?
6-methyl-2-piperidin-4-yl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepine has a molecular weight of 251.40 g/mol, XLogP of 1.64, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-piperidin-4-yl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepine is sourced from PubChem (CID 19969929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).