N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4-propan-2-ylthiadiazole-5-carboxamide

C12H19N3O3S — CID 107389756

IUPACN-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4-propan-2-ylthiadiazole-5-carboxamide
SMILESCC(C)c1nnsc1C(=O)NCC1COC(C)(C)O1
InChIInChI=1S/C12H19N3O3S/c1-7(2)9-10(19-15-14-9)11(16)13-5-8-6-17-12(3,4)18-8/h7-8H,5-6H2,1-4H3,(H,13,16)
InChIKeyFJXJGRHKSVJEMP-UHFFFAOYSA-N
MW285.37 g/mol
LogP1.54
Rot. Bonds4

About N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4-propan-2-ylthiadiazole-5-carboxamide

N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4-propan-2-ylthiadiazole-5-carboxamide (PubChem CID 107389756) has the molecular formula C12H19N3O3S and a molecular weight of 285.37 g/mol. Its IUPAC name is N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4-propan-2-ylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4-propan-2-ylthiadiazole-5-carboxamide
PubChem CID107389756
Molecular FormulaC12H19N3O3S
Molecular Weight285.37 g/mol
Exact Mass285.11
IUPAC NameN-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4-propan-2-ylthiadiazole-5-carboxamide
SMILESCC(C)c1nnsc1C(=O)NCC1COC(C)(C)O1
InChIInChI=1S/C12H19N3O3S/c1-7(2)9-10(19-15-14-9)11(16)13-5-8-6-17-12(3,4)18-8/h7-8H,5-6H2,1-4H3,(H,13,16)
InChIKeyFJXJGRHKSVJEMP-UHFFFAOYSA-N
XLogP1.54
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4-propan-2-ylthiadiazole-5-carboxamide?
The IUPAC name of N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4-propan-2-ylthiadiazole-5-carboxamide (CID 107389756) is N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4-propan-2-ylthiadiazole-5-carboxamide.
What is the SMILES notation for N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4-propan-2-ylthiadiazole-5-carboxamide?
The canonical SMILES for N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4-propan-2-ylthiadiazole-5-carboxamide is CC(C)c1nnsc1C(=O)NCC1COC(C)(C)O1.
What is the InChIKey of N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4-propan-2-ylthiadiazole-5-carboxamide?
The InChIKey is FJXJGRHKSVJEMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3S/c1-7(2)9-10(19-15-14-9)11(16)13-5-8-6-17-12(3,4)18-8/h7-8H,5-6H2,1-4H3,(H,13,16).
What are the key properties of N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4-propan-2-ylthiadiazole-5-carboxamide?
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4-propan-2-ylthiadiazole-5-carboxamide has a molecular weight of 285.37 g/mol, XLogP of 1.54, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4-propan-2-ylthiadiazole-5-carboxamide is sourced from PubChem (CID 107389756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).