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

C10H15N3O3S — CID 113357250

IUPAC4-amino-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]oxane-4-carboxamide
SMILESNC1(C(=O)NCc2csc(=O)[nH]2)CCOCC1
InChIInChI=1S/C10H15N3O3S/c11-10(1-3-16-4-2-10)8(14)12-5-7-6-17-9(15)13-7/h6H,1-5,11H2,(H,12,14)(H,13,15)
InChIKeySQDQYQAYMCIHDB-UHFFFAOYSA-N
MW257.31 g/mol
LogP-0.44
Rot. Bonds3

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

4-amino-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]oxane-4-carboxamide (PubChem CID 113357250) has the molecular formula C10H15N3O3S and a molecular weight of 257.31 g/mol. Its IUPAC name is 4-amino-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]oxane-4-carboxamide.

Molecular Properties

Compound Name4-amino-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]oxane-4-carboxamide
PubChem CID113357250
Molecular FormulaC10H15N3O3S
Molecular Weight257.31 g/mol
Exact Mass257.08
IUPAC Name4-amino-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]oxane-4-carboxamide
SMILESNC1(C(=O)NCc2csc(=O)[nH]2)CCOCC1
InChIInChI=1S/C10H15N3O3S/c11-10(1-3-16-4-2-10)8(14)12-5-7-6-17-9(15)13-7/h6H,1-5,11H2,(H,12,14)(H,13,15)
InChIKeySQDQYQAYMCIHDB-UHFFFAOYSA-N
XLogP-0.44
TPSA97.21 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 5-0.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-N-(2-prop-2-enylsulfanylethyl)oxane-4-carboxamide
CID 103845760
4-cyano-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]oxane-4-carboxamide
CID 103862856
4-[(oxan-4-ylmethylamino)methyl]-3H-1,3-thiazol-2-one
CID 106380088
2-amino-4-methoxy-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]butanamide
CID 106381190
3-amino-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]oxolane-3-carboxamide
CID 106381253
4-(aminomethyl)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]oxane-4-carboxamide
CID 106381330
4-carbamothioyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]oxane-4-carboxamide
CID 106381464
4-[[(4-aminooxan-4-yl)methylamino]methyl]-3H-1,3-thiazol-2-one
CID 106381904

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]oxane-4-carboxamide?
The IUPAC name of 4-amino-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]oxane-4-carboxamide (CID 113357250) is 4-amino-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]oxane-4-carboxamide.
What is the SMILES notation for 4-amino-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]oxane-4-carboxamide?
The canonical SMILES for 4-amino-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]oxane-4-carboxamide is NC1(C(=O)NCc2csc(=O)[nH]2)CCOCC1.
What is the InChIKey of 4-amino-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]oxane-4-carboxamide?
The InChIKey is SQDQYQAYMCIHDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3S/c11-10(1-3-16-4-2-10)8(14)12-5-7-6-17-9(15)13-7/h6H,1-5,11H2,(H,12,14)(H,13,15).
What are the key properties of 4-amino-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]oxane-4-carboxamide?
4-amino-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]oxane-4-carboxamide has a molecular weight of 257.31 g/mol, XLogP of -0.44, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]oxane-4-carboxamide is sourced from PubChem (CID 113357250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).