1-[2-[[5-(oxan-3-ylmethyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]cyclopropane-1-carboxylic acid

C15H20N2O4S — CID 167982861

IUPAC1-[2-[[5-(oxan-3-ylmethyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]cyclopropane-1-carboxylic acid
SMILESO=C(CC1(C(=O)O)CC1)Nc1ncc(CC2CCCOC2)s1
InChIInChI=1S/C15H20N2O4S/c18-12(7-15(3-4-15)13(19)20)17-14-16-8-11(22-14)6-10-2-1-5-21-9-10/h8,10H,1-7,9H2,(H,19,20)(H,16,17,18)
InChIKeyVYQFXCYAFSNWHL-UHFFFAOYSA-N
MW324.40 g/mol
LogP2.31
Rot. Bonds6

About 1-[2-[[5-(oxan-3-ylmethyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]cyclopropane-1-carboxylic acid

1-[2-[[5-(oxan-3-ylmethyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]cyclopropane-1-carboxylic acid (PubChem CID 167982861) has the molecular formula C15H20N2O4S and a molecular weight of 324.40 g/mol. Its IUPAC name is 1-[2-[[5-(oxan-3-ylmethyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[2-[[5-(oxan-3-ylmethyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]cyclopropane-1-carboxylic acid
PubChem CID167982861
Molecular FormulaC15H20N2O4S
Molecular Weight324.40 g/mol
Exact Mass324.11
IUPAC Name1-[2-[[5-(oxan-3-ylmethyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]cyclopropane-1-carboxylic acid
SMILESO=C(CC1(C(=O)O)CC1)Nc1ncc(CC2CCCOC2)s1
InChIInChI=1S/C15H20N2O4S/c18-12(7-15(3-4-15)13(19)20)17-14-16-8-11(22-14)6-10-2-1-5-21-9-10/h8,10H,1-7,9H2,(H,19,20)(H,16,17,18)
InChIKeyVYQFXCYAFSNWHL-UHFFFAOYSA-N
XLogP2.31
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.40
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[[5-(oxan-3-ylmethyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[2-[[5-(oxan-3-ylmethyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]cyclopropane-1-carboxylic acid (CID 167982861) is 1-[2-[[5-(oxan-3-ylmethyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[2-[[5-(oxan-3-ylmethyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[2-[[5-(oxan-3-ylmethyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]cyclopropane-1-carboxylic acid is O=C(CC1(C(=O)O)CC1)Nc1ncc(CC2CCCOC2)s1.
What is the InChIKey of 1-[2-[[5-(oxan-3-ylmethyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]cyclopropane-1-carboxylic acid?
The InChIKey is VYQFXCYAFSNWHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4S/c18-12(7-15(3-4-15)13(19)20)17-14-16-8-11(22-14)6-10-2-1-5-21-9-10/h8,10H,1-7,9H2,(H,19,20)(H,16,17,18).
What are the key properties of 1-[2-[[5-(oxan-3-ylmethyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]cyclopropane-1-carboxylic acid?
1-[2-[[5-(oxan-3-ylmethyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]cyclopropane-1-carboxylic acid has a molecular weight of 324.40 g/mol, XLogP of 2.31, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[5-(oxan-3-ylmethyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 167982861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).