tert-butyl N-[3-(1,4-dioxaspiro[4.5]decan-3-yl)-1,2,4-thiadiazol-5-yl]carbamate

C15H23N3O4S — CID 123341567

IUPACtert-butyl N-[3-(1,4-dioxaspiro[4.5]decan-3-yl)-1,2,4-thiadiazol-5-yl]carbamate
SMILESCC(C)(C)OC(=O)Nc1nc(C2COC3(CCCCC3)O2)ns1
InChIInChI=1S/C15H23N3O4S/c1-14(2,3)22-13(19)17-12-16-11(18-23-12)10-9-20-15(21-10)7-5-4-6-8-15/h10H,4-9H2,1-3H3,(H,16,17,18,19)
InChIKeyINCATCPIMAJRDT-UHFFFAOYSA-N
MW341.43 g/mol
LogP3.63
Rot. Bonds2

About tert-butyl N-[3-(1,4-dioxaspiro[4.5]decan-3-yl)-1,2,4-thiadiazol-5-yl]carbamate

tert-butyl N-[3-(1,4-dioxaspiro[4.5]decan-3-yl)-1,2,4-thiadiazol-5-yl]carbamate (PubChem CID 123341567) has the molecular formula C15H23N3O4S and a molecular weight of 341.43 g/mol. Its IUPAC name is tert-butyl N-[3-(1,4-dioxaspiro[4.5]decan-3-yl)-1,2,4-thiadiazol-5-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-(1,4-dioxaspiro[4.5]decan-3-yl)-1,2,4-thiadiazol-5-yl]carbamate
PubChem CID123341567
Molecular FormulaC15H23N3O4S
Molecular Weight341.43 g/mol
Exact Mass341.14
IUPAC Nametert-butyl N-[3-(1,4-dioxaspiro[4.5]decan-3-yl)-1,2,4-thiadiazol-5-yl]carbamate
SMILESCC(C)(C)OC(=O)Nc1nc(C2COC3(CCCCC3)O2)ns1
InChIInChI=1S/C15H23N3O4S/c1-14(2,3)22-13(19)17-12-16-11(18-23-12)10-9-20-15(21-10)7-5-4-6-8-15/h10H,4-9H2,1-3H3,(H,16,17,18,19)
InChIKeyINCATCPIMAJRDT-UHFFFAOYSA-N
XLogP3.63
TPSA82.57 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.43
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze tert-butyl N-[3-(1,4-dioxaspiro[4.5]decan-3-yl)-1,2,4-thiadiazol-5-yl]carbamate with MolForge

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Related Compounds

tert-butyl N-(3-chloro-1,2,4-thiadiazol-5-yl)carbamate
CID 67062698
2-amino-2-[5-[(2-methylpropan-2-yl)oxycarbonylamino]-1,2,4-thiadiazol-3-yl]acetic acid
CID 83826109
tert-butyl N-[3-(2-phenylethenyl)-1,2,4-thiadiazol-5-yl]carbamate
CID 175557533
2-(1,4-dioxaspiro[4.7]dodecan-3-yl)propan-2-yl 2-methylprop-2-enoate
CID 167189874
tert-butyl N-[5-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-4-methyl-1,3-thiazol-2-yl]carbamate
CID 11417719
tert-butyl N-[3-(4-methylsulfonylphenyl)-1,2,4-thiadiazol-5-yl]carbamate
CID 68743050
tert-butyl (3R)-3-[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]pent-4-enoate
CID 101403885
3-(1,4-dioxaspiro[4.5]decan-3-yl)-N-[5-(2-methoxyethylsulfanyl)-3-[(2-methyl-3-pyridinyl)oxy]-2-pyridinyl]-1,2,4-thiadiazol-5-amine
CID 67487218
tert-butyl N-[3-[1-(butanoylamino)propan-2-yl]-1,2,4-thiadiazol-5-yl]carbamate
CID 90954427
tert-butyl N-[4-[(S)-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-1,3-thiazol-2-yl]carbamate
CID 10961732
tert-butyl N-(1,5,9-trioxaspiro[5.5]undecan-3-yl)carbamate
CID 175877569
tert-butyl N-[5-(cyclohexanecarbonyl)-4-(furan-2-yl)-1,3-thiazol-2-yl]carbamate
CID 23144478

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-(1,4-dioxaspiro[4.5]decan-3-yl)-1,2,4-thiadiazol-5-yl]carbamate?
The IUPAC name of tert-butyl N-[3-(1,4-dioxaspiro[4.5]decan-3-yl)-1,2,4-thiadiazol-5-yl]carbamate (CID 123341567) is tert-butyl N-[3-(1,4-dioxaspiro[4.5]decan-3-yl)-1,2,4-thiadiazol-5-yl]carbamate.
What is the SMILES notation for tert-butyl N-[3-(1,4-dioxaspiro[4.5]decan-3-yl)-1,2,4-thiadiazol-5-yl]carbamate?
The canonical SMILES for tert-butyl N-[3-(1,4-dioxaspiro[4.5]decan-3-yl)-1,2,4-thiadiazol-5-yl]carbamate is CC(C)(C)OC(=O)Nc1nc(C2COC3(CCCCC3)O2)ns1.
What is the InChIKey of tert-butyl N-[3-(1,4-dioxaspiro[4.5]decan-3-yl)-1,2,4-thiadiazol-5-yl]carbamate?
The InChIKey is INCATCPIMAJRDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O4S/c1-14(2,3)22-13(19)17-12-16-11(18-23-12)10-9-20-15(21-10)7-5-4-6-8-15/h10H,4-9H2,1-3H3,(H,16,17,18,19).
What are the key properties of tert-butyl N-[3-(1,4-dioxaspiro[4.5]decan-3-yl)-1,2,4-thiadiazol-5-yl]carbamate?
tert-butyl N-[3-(1,4-dioxaspiro[4.5]decan-3-yl)-1,2,4-thiadiazol-5-yl]carbamate has a molecular weight of 341.43 g/mol, XLogP of 3.63, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-(1,4-dioxaspiro[4.5]decan-3-yl)-1,2,4-thiadiazol-5-yl]carbamate is sourced from PubChem (CID 123341567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).