3-amino-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]oxolane-3-carboxamide

C12H19N3O2S — CID 64891974

IUPAC3-amino-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]oxolane-3-carboxamide
SMILESCc1nc(C)c(C(C)NC(=O)C2(N)CCOC2)s1
InChIInChI=1S/C12H19N3O2S/c1-7-10(18-9(3)14-7)8(2)15-11(16)12(13)4-5-17-6-12/h8H,4-6,13H2,1-3H3,(H,15,16)
InChIKeyWVNKJIWIOMIMQJ-UHFFFAOYSA-N
MW269.37 g/mol
LogP1.05
Rot. Bonds3

About 3-amino-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]oxolane-3-carboxamide

3-amino-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]oxolane-3-carboxamide (PubChem CID 64891974) has the molecular formula C12H19N3O2S and a molecular weight of 269.37 g/mol. Its IUPAC name is 3-amino-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]oxolane-3-carboxamide.

Molecular Properties

Compound Name3-amino-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]oxolane-3-carboxamide
PubChem CID64891974
Molecular FormulaC12H19N3O2S
Molecular Weight269.37 g/mol
Exact Mass269.12
IUPAC Name3-amino-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]oxolane-3-carboxamide
SMILESCc1nc(C)c(C(C)NC(=O)C2(N)CCOC2)s1
InChIInChI=1S/C12H19N3O2S/c1-7-10(18-9(3)14-7)8(2)15-11(16)12(13)4-5-17-6-12/h8H,4-6,13H2,1-3H3,(H,15,16)
InChIKeyWVNKJIWIOMIMQJ-UHFFFAOYSA-N
XLogP1.05
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]oxolane-3-carboxamide?
The IUPAC name of 3-amino-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]oxolane-3-carboxamide (CID 64891974) is 3-amino-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]oxolane-3-carboxamide.
What is the SMILES notation for 3-amino-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]oxolane-3-carboxamide?
The canonical SMILES for 3-amino-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]oxolane-3-carboxamide is Cc1nc(C)c(C(C)NC(=O)C2(N)CCOC2)s1.
What is the InChIKey of 3-amino-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]oxolane-3-carboxamide?
The InChIKey is WVNKJIWIOMIMQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2S/c1-7-10(18-9(3)14-7)8(2)15-11(16)12(13)4-5-17-6-12/h8H,4-6,13H2,1-3H3,(H,15,16).
What are the key properties of 3-amino-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]oxolane-3-carboxamide?
3-amino-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]oxolane-3-carboxamide has a molecular weight of 269.37 g/mol, XLogP of 1.05, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]oxolane-3-carboxamide is sourced from PubChem (CID 64891974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).