4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)-1,4-oxazepane

C10H17N3OS — CID 75376958

IUPAC4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)-1,4-oxazepane
SMILESCC(C)c1nsc(N2CCCOCC2)n1
InChIInChI=1S/C10H17N3OS/c1-8(2)9-11-10(15-12-9)13-4-3-6-14-7-5-13/h8H,3-7H2,1-2H3
InChIKeyORDYZZJPVJIBSF-UHFFFAOYSA-N
MW227.33 g/mol
LogP1.89
Rot. Bonds2

About 4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)-1,4-oxazepane

4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)-1,4-oxazepane (PubChem CID 75376958) has the molecular formula C10H17N3OS and a molecular weight of 227.33 g/mol. Its IUPAC name is 4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)-1,4-oxazepane.

Molecular Properties

Compound Name4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)-1,4-oxazepane
PubChem CID75376958
Molecular FormulaC10H17N3OS
Molecular Weight227.33 g/mol
Exact Mass227.11
IUPAC Name4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)-1,4-oxazepane
SMILESCC(C)c1nsc(N2CCCOCC2)n1
InChIInChI=1S/C10H17N3OS/c1-8(2)9-11-10(15-12-9)13-4-3-6-14-7-5-13/h8H,3-7H2,1-2H3
InChIKeyORDYZZJPVJIBSF-UHFFFAOYSA-N
XLogP1.89
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-3-methyl-4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)morpholine
CID 97094875
[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]methanamine
CID 65272653
4-(3-bromo-1,2,4-thiadiazol-5-yl)morpholine
CID 66634232
1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)pyrrolidine-3,4-diol
CID 106673285
5-[4-[(2S)-1-methoxypropan-2-yl]piperazin-1-yl]-3-propan-2-yl-1,2,4-thiadiazole
CID 95785318
3-propan-2-yl-5-(4-pyrazin-2-ylpiperazin-1-yl)-1,2,4-thiadiazole
CID 133335405
4-(5-propan-2-yl-1,2,4-thiadiazol-3-yl)morpholine
CID 177031494
5-[3-(difluoromethyl)pyrrolidin-1-yl]-3-propan-2-yl-1,2,4-thiadiazole
CID 166600619
N-[[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]methyl]propan-1-amine
CID 65279975
N-methyl-1-[4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)morpholin-3-yl]methanamine
CID 83105830
1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)-4-propylpiperidine-4-carboxylic acid
CID 65270420
methyl 2-[4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)morpholin-2-yl]acetate
CID 79839516

Frequently Asked Questions

What is the IUPAC name of 4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)-1,4-oxazepane?
The IUPAC name of 4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)-1,4-oxazepane (CID 75376958) is 4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)-1,4-oxazepane.
What is the SMILES notation for 4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)-1,4-oxazepane?
The canonical SMILES for 4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)-1,4-oxazepane is CC(C)c1nsc(N2CCCOCC2)n1.
What is the InChIKey of 4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)-1,4-oxazepane?
The InChIKey is ORDYZZJPVJIBSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3OS/c1-8(2)9-11-10(15-12-9)13-4-3-6-14-7-5-13/h8H,3-7H2,1-2H3.
What are the key properties of 4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)-1,4-oxazepane?
4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)-1,4-oxazepane has a molecular weight of 227.33 g/mol, XLogP of 1.89, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)-1,4-oxazepane is sourced from PubChem (CID 75376958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).