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

C11H17N3O2S — CID 66249283

IUPAC4-amino-3-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]oxolane-3-carboxamide
SMILESCc1csc(CNC(=O)C2(C)COCC2N)n1
InChIInChI=1S/C11H17N3O2S/c1-7-5-17-9(14-7)3-13-10(15)11(2)6-16-4-8(11)12/h5,8H,3-4,6,12H2,1-2H3,(H,13,15)
InChIKeySVRVIXSVNBTIOK-UHFFFAOYSA-N
MW255.34 g/mol
LogP0.43
Rot. Bonds3

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

4-amino-3-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]oxolane-3-carboxamide (PubChem CID 66249283) has the molecular formula C11H17N3O2S and a molecular weight of 255.34 g/mol. Its IUPAC name is 4-amino-3-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]oxolane-3-carboxamide.

Molecular Properties

Compound Name4-amino-3-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]oxolane-3-carboxamide
PubChem CID66249283
Molecular FormulaC11H17N3O2S
Molecular Weight255.34 g/mol
Exact Mass255.10
IUPAC Name4-amino-3-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]oxolane-3-carboxamide
SMILESCc1csc(CNC(=O)C2(C)COCC2N)n1
InChIInChI=1S/C11H17N3O2S/c1-7-5-17-9(14-7)3-13-10(15)11(2)6-16-4-8(11)12/h5,8H,3-4,6,12H2,1-2H3,(H,13,15)
InChIKeySVRVIXSVNBTIOK-UHFFFAOYSA-N
XLogP0.43
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-3-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]oxolane-3-carboxamide?
The IUPAC name of 4-amino-3-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]oxolane-3-carboxamide (CID 66249283) is 4-amino-3-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]oxolane-3-carboxamide.
What is the SMILES notation for 4-amino-3-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]oxolane-3-carboxamide?
The canonical SMILES for 4-amino-3-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]oxolane-3-carboxamide is Cc1csc(CNC(=O)C2(C)COCC2N)n1.
What is the InChIKey of 4-amino-3-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]oxolane-3-carboxamide?
The InChIKey is SVRVIXSVNBTIOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2S/c1-7-5-17-9(14-7)3-13-10(15)11(2)6-16-4-8(11)12/h5,8H,3-4,6,12H2,1-2H3,(H,13,15).
What are the key properties of 4-amino-3-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]oxolane-3-carboxamide?
4-amino-3-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]oxolane-3-carboxamide has a molecular weight of 255.34 g/mol, XLogP of 0.43, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]oxolane-3-carboxamide is sourced from PubChem (CID 66249283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).