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

C10H15N3O2S — CID 64891769

IUPAC3-amino-N-[(4-methyl-1,3-thiazol-2-yl)methyl]oxolane-3-carboxamide
SMILESCc1csc(CNC(=O)C2(N)CCOC2)n1
InChIInChI=1S/C10H15N3O2S/c1-7-5-16-8(13-7)4-12-9(14)10(11)2-3-15-6-10/h5H,2-4,6,11H2,1H3,(H,12,14)
InChIKeyHQJLYVIGRMSAHD-UHFFFAOYSA-N
MW241.32 g/mol
LogP0.19
Rot. Bonds3

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

3-amino-N-[(4-methyl-1,3-thiazol-2-yl)methyl]oxolane-3-carboxamide (PubChem CID 64891769) has the molecular formula C10H15N3O2S and a molecular weight of 241.32 g/mol. Its IUPAC name is 3-amino-N-[(4-methyl-1,3-thiazol-2-yl)methyl]oxolane-3-carboxamide.

Molecular Properties

Compound Name3-amino-N-[(4-methyl-1,3-thiazol-2-yl)methyl]oxolane-3-carboxamide
PubChem CID64891769
Molecular FormulaC10H15N3O2S
Molecular Weight241.32 g/mol
Exact Mass241.09
IUPAC Name3-amino-N-[(4-methyl-1,3-thiazol-2-yl)methyl]oxolane-3-carboxamide
SMILESCc1csc(CNC(=O)C2(N)CCOC2)n1
InChIInChI=1S/C10H15N3O2S/c1-7-5-16-8(13-7)4-12-9(14)10(11)2-3-15-6-10/h5H,2-4,6,11H2,1H3,(H,12,14)
InChIKeyHQJLYVIGRMSAHD-UHFFFAOYSA-N
XLogP0.19
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 ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(4-methyl-1,3-thiazol-2-yl)methyl]oxolane-3-carboxamide?
The IUPAC name of 3-amino-N-[(4-methyl-1,3-thiazol-2-yl)methyl]oxolane-3-carboxamide (CID 64891769) is 3-amino-N-[(4-methyl-1,3-thiazol-2-yl)methyl]oxolane-3-carboxamide.
What is the SMILES notation for 3-amino-N-[(4-methyl-1,3-thiazol-2-yl)methyl]oxolane-3-carboxamide?
The canonical SMILES for 3-amino-N-[(4-methyl-1,3-thiazol-2-yl)methyl]oxolane-3-carboxamide is Cc1csc(CNC(=O)C2(N)CCOC2)n1.
What is the InChIKey of 3-amino-N-[(4-methyl-1,3-thiazol-2-yl)methyl]oxolane-3-carboxamide?
The InChIKey is HQJLYVIGRMSAHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2S/c1-7-5-16-8(13-7)4-12-9(14)10(11)2-3-15-6-10/h5H,2-4,6,11H2,1H3,(H,12,14).
What are the key properties of 3-amino-N-[(4-methyl-1,3-thiazol-2-yl)methyl]oxolane-3-carboxamide?
3-amino-N-[(4-methyl-1,3-thiazol-2-yl)methyl]oxolane-3-carboxamide has a molecular weight of 241.32 g/mol, XLogP of 0.19, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(4-methyl-1,3-thiazol-2-yl)methyl]oxolane-3-carboxamide is sourced from PubChem (CID 64891769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).