5-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid

C11H10BrN5O3S — CID 79351341

IUPAC5-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid
SMILESO=C(O)C1Cc2nc[nH]c2CN1C(=O)Nc1ncc(Br)s1
InChIInChI=1S/C11H10BrN5O3S/c12-8-2-13-10(21-8)16-11(20)17-3-6-5(14-4-15-6)1-7(17)9(18)19/h2,4,7H,1,3H2,(H,14,15)(H,18,19)(H,13,16,20)
InChIKeySIVLFBSFCLPNNC-UHFFFAOYSA-N
MW372.20 g/mol
LogP1.67
Rot. Bonds2

About 5-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid

5-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid (PubChem CID 79351341) has the molecular formula C11H10BrN5O3S and a molecular weight of 372.20 g/mol. Its IUPAC name is 5-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name5-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid
PubChem CID79351341
Molecular FormulaC11H10BrN5O3S
Molecular Weight372.20 g/mol
Exact Mass370.97
IUPAC Name5-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid
SMILESO=C(O)C1Cc2nc[nH]c2CN1C(=O)Nc1ncc(Br)s1
InChIInChI=1S/C11H10BrN5O3S/c12-8-2-13-10(21-8)16-11(20)17-3-6-5(14-4-15-6)1-7(17)9(18)19/h2,4,7H,1,3H2,(H,14,15)(H,18,19)(H,13,16,20)
InChIKeySIVLFBSFCLPNNC-UHFFFAOYSA-N
XLogP1.67
TPSA111.21 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.20
LogP ≤ 51.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 5-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid?
The IUPAC name of 5-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid (CID 79351341) is 5-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid.
What is the SMILES notation for 5-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid?
The canonical SMILES for 5-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid is O=C(O)C1Cc2nc[nH]c2CN1C(=O)Nc1ncc(Br)s1.
What is the InChIKey of 5-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid?
The InChIKey is SIVLFBSFCLPNNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrN5O3S/c12-8-2-13-10(21-8)16-11(20)17-3-6-5(14-4-15-6)1-7(17)9(18)19/h2,4,7H,1,3H2,(H,14,15)(H,18,19)(H,13,16,20).
What are the key properties of 5-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid?
5-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid has a molecular weight of 372.20 g/mol, XLogP of 1.67, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid is sourced from PubChem (CID 79351341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).