tert-butyl N-[5-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-4-methyl-1,3-thiazol-2-yl]carbamate

C17H25N3O5S — CID 11417719

IUPACtert-butyl N-[5-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-4-methyl-1,3-thiazol-2-yl]carbamate
SMILESCc1nc(NC(=O)OC(C)(C)C)sc1C(=O)N1CCC2(CC1)OCCO2
InChIInChI=1S/C17H25N3O5S/c1-11-12(26-14(18-11)19-15(22)25-16(2,3)4)13(21)20-7-5-17(6-8-20)23-9-10-24-17/h5-10H2,1-4H3,(H,18,19,22)
InChIKeyCDZZMXOFVHOKSV-UHFFFAOYSA-N
MW383.47 g/mol
LogP2.78
Rot. Bonds2

About tert-butyl N-[5-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-4-methyl-1,3-thiazol-2-yl]carbamate

tert-butyl N-[5-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-4-methyl-1,3-thiazol-2-yl]carbamate (PubChem CID 11417719) has the molecular formula C17H25N3O5S and a molecular weight of 383.47 g/mol. Its IUPAC name is tert-butyl N-[5-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-4-methyl-1,3-thiazol-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[5-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-4-methyl-1,3-thiazol-2-yl]carbamate
PubChem CID11417719
Molecular FormulaC17H25N3O5S
Molecular Weight383.47 g/mol
Exact Mass383.15
IUPAC Nametert-butyl N-[5-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-4-methyl-1,3-thiazol-2-yl]carbamate
SMILESCc1nc(NC(=O)OC(C)(C)C)sc1C(=O)N1CCC2(CC1)OCCO2
InChIInChI=1S/C17H25N3O5S/c1-11-12(26-14(18-11)19-15(22)25-16(2,3)4)13(21)20-7-5-17(6-8-20)23-9-10-24-17/h5-10H2,1-4H3,(H,18,19,22)
InChIKeyCDZZMXOFVHOKSV-UHFFFAOYSA-N
XLogP2.78
TPSA89.99 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze tert-butyl N-[5-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-4-methyl-1,3-thiazol-2-yl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[5-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-4-methyl-1,3-thiazol-2-yl]carbamate?
The IUPAC name of tert-butyl N-[5-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-4-methyl-1,3-thiazol-2-yl]carbamate (CID 11417719) is tert-butyl N-[5-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-4-methyl-1,3-thiazol-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[5-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-4-methyl-1,3-thiazol-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[5-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-4-methyl-1,3-thiazol-2-yl]carbamate is Cc1nc(NC(=O)OC(C)(C)C)sc1C(=O)N1CCC2(CC1)OCCO2.
What is the InChIKey of tert-butyl N-[5-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-4-methyl-1,3-thiazol-2-yl]carbamate?
The InChIKey is CDZZMXOFVHOKSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O5S/c1-11-12(26-14(18-11)19-15(22)25-16(2,3)4)13(21)20-7-5-17(6-8-20)23-9-10-24-17/h5-10H2,1-4H3,(H,18,19,22).
What are the key properties of tert-butyl N-[5-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-4-methyl-1,3-thiazol-2-yl]carbamate?
tert-butyl N-[5-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-4-methyl-1,3-thiazol-2-yl]carbamate has a molecular weight of 383.47 g/mol, XLogP of 2.78, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[5-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-4-methyl-1,3-thiazol-2-yl]carbamate is sourced from PubChem (CID 11417719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).