(4R)-5-(2-piperidin-1-yl-1,3-thiazole-4-carbonyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylic acid

C16H19N5O3S — CID 95874883

IUPAC(4R)-5-(2-piperidin-1-yl-1,3-thiazole-4-carbonyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylic acid
SMILESO=C(O)[C@H]1c2nc[nH]c2CCN1C(=O)c1csc(N2CCCCC2)n1
InChIInChI=1S/C16H19N5O3S/c22-14(11-8-25-16(19-11)20-5-2-1-3-6-20)21-7-4-10-12(18-9-17-10)13(21)15(23)24/h8-9,13H,1-7H2,(H,17,18)(H,23,24)/t13-/m1/s1
InChIKeyOELPIUTXUYBETO-CYBMUJFWSA-N
MW361.43 g/mol
LogP1.68
Rot. Bonds3

About (4R)-5-(2-piperidin-1-yl-1,3-thiazole-4-carbonyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylic acid

(4R)-5-(2-piperidin-1-yl-1,3-thiazole-4-carbonyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylic acid (PubChem CID 95874883) has the molecular formula C16H19N5O3S and a molecular weight of 361.43 g/mol. Its IUPAC name is (4R)-5-(2-piperidin-1-yl-1,3-thiazole-4-carbonyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name(4R)-5-(2-piperidin-1-yl-1,3-thiazole-4-carbonyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylic acid
PubChem CID95874883
Molecular FormulaC16H19N5O3S
Molecular Weight361.43 g/mol
Exact Mass361.12
IUPAC Name(4R)-5-(2-piperidin-1-yl-1,3-thiazole-4-carbonyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylic acid
SMILESO=C(O)[C@H]1c2nc[nH]c2CCN1C(=O)c1csc(N2CCCCC2)n1
InChIInChI=1S/C16H19N5O3S/c22-14(11-8-25-16(19-11)20-5-2-1-3-6-20)21-7-4-10-12(18-9-17-10)13(21)15(23)24/h8-9,13H,1-7H2,(H,17,18)(H,23,24)/t13-/m1/s1
InChIKeyOELPIUTXUYBETO-CYBMUJFWSA-N
XLogP1.68
TPSA102.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.43
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-(2-piperidin-1-yl-1,3-thiazole-4-carbonyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylic acid
CID 70749670
(4S)-5-(3-piperidin-1-ylpropanoyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylic acid
CID 95866736
(4R)-5-(5-propylthiophene-3-carbonyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylic acid
CID 95873195
5-(5-methyl-2-phenyl-1H-imidazole-4-carbonyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylic acid
CID 70730610
(2-piperidin-1-yl-1,3-thiazol-4-yl)-[2-(2,2,2-trifluoro-1-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 146109701
5-(5-ethylsulfanylthiophene-2-carbonyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylic acid
CID 72908044
2-pyrrolidin-1-yl-1,3-thiazole-4-carboxamide
CID 131092459
2-(4-methyl-1,4-diazepan-1-yl)-1,3-thiazole-4-carboxylic acid
CID 80568075
(4R)-5-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylic acid
CID 95874393
3-[2-(azepan-1-yl)-1,3-thiazol-4-yl]benzoic acid
CID 79156493
2-(azepan-1-yl)-1,3-thiazole-4-carbothioamide
CID 82514827
ethyl 2-(azepan-1-yl)-1,3-thiazole-4-carboxylate
CID 80568096

Frequently Asked Questions

What is the IUPAC name of (4R)-5-(2-piperidin-1-yl-1,3-thiazole-4-carbonyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylic acid?
The IUPAC name of (4R)-5-(2-piperidin-1-yl-1,3-thiazole-4-carbonyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylic acid (CID 95874883) is (4R)-5-(2-piperidin-1-yl-1,3-thiazole-4-carbonyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylic acid.
What is the SMILES notation for (4R)-5-(2-piperidin-1-yl-1,3-thiazole-4-carbonyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylic acid?
The canonical SMILES for (4R)-5-(2-piperidin-1-yl-1,3-thiazole-4-carbonyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylic acid is O=C(O)[C@H]1c2nc[nH]c2CCN1C(=O)c1csc(N2CCCCC2)n1.
What is the InChIKey of (4R)-5-(2-piperidin-1-yl-1,3-thiazole-4-carbonyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylic acid?
The InChIKey is OELPIUTXUYBETO-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H19N5O3S/c22-14(11-8-25-16(19-11)20-5-2-1-3-6-20)21-7-4-10-12(18-9-17-10)13(21)15(23)24/h8-9,13H,1-7H2,(H,17,18)(H,23,24)/t13-/m1/s1.
What are the key properties of (4R)-5-(2-piperidin-1-yl-1,3-thiazole-4-carbonyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylic acid?
(4R)-5-(2-piperidin-1-yl-1,3-thiazole-4-carbonyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylic acid has a molecular weight of 361.43 g/mol, XLogP of 1.68, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-5-(2-piperidin-1-yl-1,3-thiazole-4-carbonyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylic acid is sourced from PubChem (CID 95874883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).