N-(1,9-dioxaspiro[5.5]undecan-4-yl)-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide

C17H26N2O3S — CID 70719288

IUPACN-(1,9-dioxaspiro[5.5]undecan-4-yl)-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide
SMILESCc1nc(C(C)C)sc1C(=O)NC1CCOC2(CCOCC2)C1
InChIInChI=1S/C17H26N2O3S/c1-11(2)16-18-12(3)14(23-16)15(20)19-13-4-7-22-17(10-13)5-8-21-9-6-17/h11,13H,4-10H2,1-3H3,(H,19,20)
InChIKeyUOGPXXXMOZTQNQ-UHFFFAOYSA-N
MW338.47 g/mol
LogP3.03
Rot. Bonds3

About N-(1,9-dioxaspiro[5.5]undecan-4-yl)-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide

N-(1,9-dioxaspiro[5.5]undecan-4-yl)-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide (PubChem CID 70719288) has the molecular formula C17H26N2O3S and a molecular weight of 338.47 g/mol. Its IUPAC name is N-(1,9-dioxaspiro[5.5]undecan-4-yl)-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(1,9-dioxaspiro[5.5]undecan-4-yl)-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide
PubChem CID70719288
Molecular FormulaC17H26N2O3S
Molecular Weight338.47 g/mol
Exact Mass338.17
IUPAC NameN-(1,9-dioxaspiro[5.5]undecan-4-yl)-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide
SMILESCc1nc(C(C)C)sc1C(=O)NC1CCOC2(CCOCC2)C1
InChIInChI=1S/C17H26N2O3S/c1-11(2)16-18-12(3)14(23-16)15(20)19-13-4-7-22-17(10-13)5-8-21-9-6-17/h11,13H,4-10H2,1-3H3,(H,19,20)
InChIKeyUOGPXXXMOZTQNQ-UHFFFAOYSA-N
XLogP3.03
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.47
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1,9-dioxaspiro[5.5]undecan-4-yl)-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(1,9-dioxaspiro[5.5]undecan-4-yl)-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide (CID 70719288) is N-(1,9-dioxaspiro[5.5]undecan-4-yl)-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(1,9-dioxaspiro[5.5]undecan-4-yl)-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(1,9-dioxaspiro[5.5]undecan-4-yl)-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide is Cc1nc(C(C)C)sc1C(=O)NC1CCOC2(CCOCC2)C1.
What is the InChIKey of N-(1,9-dioxaspiro[5.5]undecan-4-yl)-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide?
The InChIKey is UOGPXXXMOZTQNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3S/c1-11(2)16-18-12(3)14(23-16)15(20)19-13-4-7-22-17(10-13)5-8-21-9-6-17/h11,13H,4-10H2,1-3H3,(H,19,20).
What are the key properties of N-(1,9-dioxaspiro[5.5]undecan-4-yl)-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide?
N-(1,9-dioxaspiro[5.5]undecan-4-yl)-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide has a molecular weight of 338.47 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,9-dioxaspiro[5.5]undecan-4-yl)-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 70719288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).