2-[5-(1,3-thiazol-2-ylmethylcarbamoylamino)-2-pyridinyl]acetic acid

C12H12N4O3S — CID 107340578

IUPAC2-[5-(1,3-thiazol-2-ylmethylcarbamoylamino)-2-pyridinyl]acetic acid
SMILESO=C(O)Cc1ccc(NC(=O)NCc2nccs2)cn1
InChIInChI=1S/C12H12N4O3S/c17-11(18)5-8-1-2-9(6-14-8)16-12(19)15-7-10-13-3-4-20-10/h1-4,6H,5,7H2,(H,17,18)(H2,15,16,19)
InChIKeyBUALYXGUSAOTLQ-UHFFFAOYSA-N
MW292.32 g/mol
LogP1.49
Rot. Bonds5

About 2-[5-(1,3-thiazol-2-ylmethylcarbamoylamino)-2-pyridinyl]acetic acid

2-[5-(1,3-thiazol-2-ylmethylcarbamoylamino)-2-pyridinyl]acetic acid (PubChem CID 107340578) has the molecular formula C12H12N4O3S and a molecular weight of 292.32 g/mol. Its IUPAC name is 2-[5-(1,3-thiazol-2-ylmethylcarbamoylamino)-2-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[5-(1,3-thiazol-2-ylmethylcarbamoylamino)-2-pyridinyl]acetic acid
PubChem CID107340578
Molecular FormulaC12H12N4O3S
Molecular Weight292.32 g/mol
Exact Mass292.06
IUPAC Name2-[5-(1,3-thiazol-2-ylmethylcarbamoylamino)-2-pyridinyl]acetic acid
SMILESO=C(O)Cc1ccc(NC(=O)NCc2nccs2)cn1
InChIInChI=1S/C12H12N4O3S/c17-11(18)5-8-1-2-9(6-14-8)16-12(19)15-7-10-13-3-4-20-10/h1-4,6H,5,7H2,(H,17,18)(H2,15,16,19)
InChIKeyBUALYXGUSAOTLQ-UHFFFAOYSA-N
XLogP1.49
TPSA104.21 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.32
LogP ≤ 51.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3,4-dichlorophenyl)-3-(1,3-thiazol-2-ylmethyl)urea
CID 110446996
2-[5-(2-carbamoyloxyethylcarbamoylamino)-2-pyridinyl]acetic acid
CID 107340802
2-[5-(but-3-enylcarbamoylamino)-2-pyridinyl]acetic acid
CID 107340820
2-[5-(3,3-dimethylbutylcarbamoylamino)-2-pyridinyl]acetic acid
CID 107340868
2-[4-[2-(1,3-thiazol-2-yl)ethylcarbamoylamino]phenyl]acetic acid
CID 63241030
2-[5-(carbamoylamino)-2-pyridinyl]acetic acid
CID 107339512
2-[5-(2,2,3,3-tetrafluoropropylcarbamoylamino)-2-pyridinyl]acetic acid
CID 106295042
3-[2-(1,3-thiazol-2-ylmethylcarbamoylamino)phenyl]propanoic acid
CID 107274047
2-[5-[2-(dimethylamino)propylcarbamoylamino]-2-pyridinyl]acetic acid
CID 107340627
2-[5-[(3-amino-2,2-dimethyl-3-oxopropyl)carbamoylamino]-2-pyridinyl]acetic acid
CID 106279156
2-[5-[4-(dimethylamino)butylcarbamoylamino]-2-pyridinyl]acetic acid
CID 107340633
2-[5-[(2,2-dimethylcyclopropyl)carbamoylamino]-2-pyridinyl]acetic acid
CID 107340629

Frequently Asked Questions

What is the IUPAC name of 2-[5-(1,3-thiazol-2-ylmethylcarbamoylamino)-2-pyridinyl]acetic acid?
The IUPAC name of 2-[5-(1,3-thiazol-2-ylmethylcarbamoylamino)-2-pyridinyl]acetic acid (CID 107340578) is 2-[5-(1,3-thiazol-2-ylmethylcarbamoylamino)-2-pyridinyl]acetic acid.
What is the SMILES notation for 2-[5-(1,3-thiazol-2-ylmethylcarbamoylamino)-2-pyridinyl]acetic acid?
The canonical SMILES for 2-[5-(1,3-thiazol-2-ylmethylcarbamoylamino)-2-pyridinyl]acetic acid is O=C(O)Cc1ccc(NC(=O)NCc2nccs2)cn1.
What is the InChIKey of 2-[5-(1,3-thiazol-2-ylmethylcarbamoylamino)-2-pyridinyl]acetic acid?
The InChIKey is BUALYXGUSAOTLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O3S/c17-11(18)5-8-1-2-9(6-14-8)16-12(19)15-7-10-13-3-4-20-10/h1-4,6H,5,7H2,(H,17,18)(H2,15,16,19).
What are the key properties of 2-[5-(1,3-thiazol-2-ylmethylcarbamoylamino)-2-pyridinyl]acetic acid?
2-[5-(1,3-thiazol-2-ylmethylcarbamoylamino)-2-pyridinyl]acetic acid has a molecular weight of 292.32 g/mol, XLogP of 1.49, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(1,3-thiazol-2-ylmethylcarbamoylamino)-2-pyridinyl]acetic acid is sourced from PubChem (CID 107340578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).