5-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-5-oxopentanoic acid

C10H14N2O3S — CID 19685117

IUPAC5-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-5-oxopentanoic acid
SMILESCc1nc(NC(=O)CCCC(=O)O)sc1C
InChIInChI=1S/C10H14N2O3S/c1-6-7(2)16-10(11-6)12-8(13)4-3-5-9(14)15/h3-5H2,1-2H3,(H,14,15)(H,11,12,13)
InChIKeyBVZLEZPRPCWPCS-UHFFFAOYSA-N
MW242.30 g/mol
LogP1.95
Rot. Bonds5

About 5-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-5-oxopentanoic acid

5-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-5-oxopentanoic acid (PubChem CID 19685117) has the molecular formula C10H14N2O3S and a molecular weight of 242.30 g/mol. Its IUPAC name is 5-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-5-oxopentanoic acid
PubChem CID19685117
Molecular FormulaC10H14N2O3S
Molecular Weight242.30 g/mol
Exact Mass242.07
IUPAC Name5-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-5-oxopentanoic acid
SMILESCc1nc(NC(=O)CCCC(=O)O)sc1C
InChIInChI=1S/C10H14N2O3S/c1-6-7(2)16-10(11-6)12-8(13)4-3-5-9(14)15/h3-5H2,1-2H3,(H,14,15)(H,11,12,13)
InChIKeyBVZLEZPRPCWPCS-UHFFFAOYSA-N
XLogP1.95
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-5-oxopentanoic acid?
The IUPAC name of 5-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-5-oxopentanoic acid (CID 19685117) is 5-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-5-oxopentanoic acid.
What is the SMILES notation for 5-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-5-oxopentanoic acid?
The canonical SMILES for 5-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-5-oxopentanoic acid is Cc1nc(NC(=O)CCCC(=O)O)sc1C.
What is the InChIKey of 5-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-5-oxopentanoic acid?
The InChIKey is BVZLEZPRPCWPCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3S/c1-6-7(2)16-10(11-6)12-8(13)4-3-5-9(14)15/h3-5H2,1-2H3,(H,14,15)(H,11,12,13).
What are the key properties of 5-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-5-oxopentanoic acid?
5-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-5-oxopentanoic acid has a molecular weight of 242.30 g/mol, XLogP of 1.95, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-5-oxopentanoic acid is sourced from PubChem (CID 19685117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).