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

C10H15N3O2S — CID 66236067

IUPAC4-amino-N-[(2-methyl-1,3-thiazol-4-yl)methyl]oxolane-3-carboxamide
SMILESCc1nc(CNC(=O)C2COCC2N)cs1
InChIInChI=1S/C10H15N3O2S/c1-6-13-7(5-16-6)2-12-10(14)8-3-15-4-9(8)11/h5,8-9H,2-4,11H2,1H3,(H,12,14)
InChIKeyBWOJMWLOJFBIST-UHFFFAOYSA-N
MW241.32 g/mol
LogP0.04
Rot. Bonds3

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

4-amino-N-[(2-methyl-1,3-thiazol-4-yl)methyl]oxolane-3-carboxamide (PubChem CID 66236067) has the molecular formula C10H15N3O2S and a molecular weight of 241.32 g/mol. Its IUPAC name is 4-amino-N-[(2-methyl-1,3-thiazol-4-yl)methyl]oxolane-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-[(2-methyl-1,3-thiazol-4-yl)methyl]oxolane-3-carboxamide
PubChem CID66236067
Molecular FormulaC10H15N3O2S
Molecular Weight241.32 g/mol
Exact Mass241.09
IUPAC Name4-amino-N-[(2-methyl-1,3-thiazol-4-yl)methyl]oxolane-3-carboxamide
SMILESCc1nc(CNC(=O)C2COCC2N)cs1
InChIInChI=1S/C10H15N3O2S/c1-6-13-7(5-16-6)2-12-10(14)8-3-15-4-9(8)11/h5,8-9H,2-4,11H2,1H3,(H,12,14)
InChIKeyBWOJMWLOJFBIST-UHFFFAOYSA-N
XLogP0.04
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(2-methyl-1,3-thiazol-4-yl)methyl]oxolane-3-carboxamide?
The IUPAC name of 4-amino-N-[(2-methyl-1,3-thiazol-4-yl)methyl]oxolane-3-carboxamide (CID 66236067) is 4-amino-N-[(2-methyl-1,3-thiazol-4-yl)methyl]oxolane-3-carboxamide.
What is the SMILES notation for 4-amino-N-[(2-methyl-1,3-thiazol-4-yl)methyl]oxolane-3-carboxamide?
The canonical SMILES for 4-amino-N-[(2-methyl-1,3-thiazol-4-yl)methyl]oxolane-3-carboxamide is Cc1nc(CNC(=O)C2COCC2N)cs1.
What is the InChIKey of 4-amino-N-[(2-methyl-1,3-thiazol-4-yl)methyl]oxolane-3-carboxamide?
The InChIKey is BWOJMWLOJFBIST-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2S/c1-6-13-7(5-16-6)2-12-10(14)8-3-15-4-9(8)11/h5,8-9H,2-4,11H2,1H3,(H,12,14).
What are the key properties of 4-amino-N-[(2-methyl-1,3-thiazol-4-yl)methyl]oxolane-3-carboxamide?
4-amino-N-[(2-methyl-1,3-thiazol-4-yl)methyl]oxolane-3-carboxamide has a molecular weight of 241.32 g/mol, XLogP of 0.04, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(2-methyl-1,3-thiazol-4-yl)methyl]oxolane-3-carboxamide is sourced from PubChem (CID 66236067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).