2-[1-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]piperidin-2-yl]acetic acid

C12H17N3O3S — CID 61189984

IUPAC2-[1-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]piperidin-2-yl]acetic acid
SMILESCc1cnc(NC(=O)N2CCCCC2CC(=O)O)s1
InChIInChI=1S/C12H17N3O3S/c1-8-7-13-11(19-8)14-12(18)15-5-3-2-4-9(15)6-10(16)17/h7,9H,2-6H2,1H3,(H,16,17)(H,13,14,18)
InChIKeyJISGDPDGTKOTDF-UHFFFAOYSA-N
MW283.35 g/mol
LogP2.31
Rot. Bonds3

About 2-[1-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]piperidin-2-yl]acetic acid

2-[1-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]piperidin-2-yl]acetic acid (PubChem CID 61189984) has the molecular formula C12H17N3O3S and a molecular weight of 283.35 g/mol. Its IUPAC name is 2-[1-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]piperidin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]piperidin-2-yl]acetic acid
PubChem CID61189984
Molecular FormulaC12H17N3O3S
Molecular Weight283.35 g/mol
Exact Mass283.10
IUPAC Name2-[1-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]piperidin-2-yl]acetic acid
SMILESCc1cnc(NC(=O)N2CCCCC2CC(=O)O)s1
InChIInChI=1S/C12H17N3O3S/c1-8-7-13-11(19-8)14-12(18)15-5-3-2-4-9(15)6-10(16)17/h7,9H,2-6H2,1H3,(H,16,17)(H,13,14,18)
InChIKeyJISGDPDGTKOTDF-UHFFFAOYSA-N
XLogP2.31
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]piperidin-2-yl]acetic acid?
The IUPAC name of 2-[1-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]piperidin-2-yl]acetic acid (CID 61189984) is 2-[1-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]piperidin-2-yl]acetic acid.
What is the SMILES notation for 2-[1-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]piperidin-2-yl]acetic acid?
The canonical SMILES for 2-[1-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]piperidin-2-yl]acetic acid is Cc1cnc(NC(=O)N2CCCCC2CC(=O)O)s1.
What is the InChIKey of 2-[1-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]piperidin-2-yl]acetic acid?
The InChIKey is JISGDPDGTKOTDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3S/c1-8-7-13-11(19-8)14-12(18)15-5-3-2-4-9(15)6-10(16)17/h7,9H,2-6H2,1H3,(H,16,17)(H,13,14,18).
What are the key properties of 2-[1-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]piperidin-2-yl]acetic acid?
2-[1-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]piperidin-2-yl]acetic acid has a molecular weight of 283.35 g/mol, XLogP of 2.31, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]piperidin-2-yl]acetic acid is sourced from PubChem (CID 61189984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).