2-(4-methyl-2-piperidin-1-ylpyrimidin-5-yl)-4-[(4-methyl-1,2-thiazole-5-carbonyl)amino]thiophene-3-carboxylic acid

C20H21N5O3S2 — CID 58191437

IUPAC2-(4-methyl-2-piperidin-1-ylpyrimidin-5-yl)-4-[(4-methyl-1,2-thiazole-5-carbonyl)amino]thiophene-3-carboxylic acid
SMILESCc1cnsc1C(=O)Nc1csc(-c2cnc(N3CCCCC3)nc2C)c1C(=O)O
InChIInChI=1S/C20H21N5O3S2/c1-11-8-22-30-16(11)18(26)24-14-10-29-17(15(14)19(27)28)13-9-21-20(23-12(13)2)25-6-4-3-5-7-25/h8-10H,3-7H2,1-2H3,(H,24,26)(H,27,28)
InChIKeyFUMIJXHFLGIJJV-UHFFFAOYSA-N
MW443.55 g/mol
LogP4.22
Rot. Bonds5

About 2-(4-methyl-2-piperidin-1-ylpyrimidin-5-yl)-4-[(4-methyl-1,2-thiazole-5-carbonyl)amino]thiophene-3-carboxylic acid

2-(4-methyl-2-piperidin-1-ylpyrimidin-5-yl)-4-[(4-methyl-1,2-thiazole-5-carbonyl)amino]thiophene-3-carboxylic acid (PubChem CID 58191437) has the molecular formula C20H21N5O3S2 and a molecular weight of 443.55 g/mol. Its IUPAC name is 2-(4-methyl-2-piperidin-1-ylpyrimidin-5-yl)-4-[(4-methyl-1,2-thiazole-5-carbonyl)amino]thiophene-3-carboxylic acid.

Molecular Properties

Compound Name2-(4-methyl-2-piperidin-1-ylpyrimidin-5-yl)-4-[(4-methyl-1,2-thiazole-5-carbonyl)amino]thiophene-3-carboxylic acid
PubChem CID58191437
Molecular FormulaC20H21N5O3S2
Molecular Weight443.55 g/mol
Exact Mass443.11
IUPAC Name2-(4-methyl-2-piperidin-1-ylpyrimidin-5-yl)-4-[(4-methyl-1,2-thiazole-5-carbonyl)amino]thiophene-3-carboxylic acid
SMILESCc1cnsc1C(=O)Nc1csc(-c2cnc(N3CCCCC3)nc2C)c1C(=O)O
InChIInChI=1S/C20H21N5O3S2/c1-11-8-22-30-16(11)18(26)24-14-10-29-17(15(14)19(27)28)13-9-21-20(23-12(13)2)25-6-4-3-5-7-25/h8-10H,3-7H2,1-2H3,(H,24,26)(H,27,28)
InChIKeyFUMIJXHFLGIJJV-UHFFFAOYSA-N
XLogP4.22
TPSA108.31 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.55
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-(4-methyl-2-piperidin-1-ylpyrimidin-5-yl)-4-[(4-methyl-1,2-thiazole-5-carbonyl)amino]thiophene-3-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

Related Compounds

CID 46184845
CID 46184845
CID 68393734
CID 68393734
CID 45121028
CID 45121028
CID 46185366
CID 46185366
CID 46185620
CID 46185620
CID 46185625
CID 46185625
CID 46185881
CID 46185881
CID 58191213
CID 58191213
CID 58191276
CID 58191276
CID 58191451
CID 58191451
CID 58191491
CID 58191491
CID 58191654
CID 58191654

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-2-piperidin-1-ylpyrimidin-5-yl)-4-[(4-methyl-1,2-thiazole-5-carbonyl)amino]thiophene-3-carboxylic acid?
The IUPAC name of 2-(4-methyl-2-piperidin-1-ylpyrimidin-5-yl)-4-[(4-methyl-1,2-thiazole-5-carbonyl)amino]thiophene-3-carboxylic acid (CID 58191437) is 2-(4-methyl-2-piperidin-1-ylpyrimidin-5-yl)-4-[(4-methyl-1,2-thiazole-5-carbonyl)amino]thiophene-3-carboxylic acid.
What is the SMILES notation for 2-(4-methyl-2-piperidin-1-ylpyrimidin-5-yl)-4-[(4-methyl-1,2-thiazole-5-carbonyl)amino]thiophene-3-carboxylic acid?
The canonical SMILES for 2-(4-methyl-2-piperidin-1-ylpyrimidin-5-yl)-4-[(4-methyl-1,2-thiazole-5-carbonyl)amino]thiophene-3-carboxylic acid is Cc1cnsc1C(=O)Nc1csc(-c2cnc(N3CCCCC3)nc2C)c1C(=O)O.
What is the InChIKey of 2-(4-methyl-2-piperidin-1-ylpyrimidin-5-yl)-4-[(4-methyl-1,2-thiazole-5-carbonyl)amino]thiophene-3-carboxylic acid?
The InChIKey is FUMIJXHFLGIJJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O3S2/c1-11-8-22-30-16(11)18(26)24-14-10-29-17(15(14)19(27)28)13-9-21-20(23-12(13)2)25-6-4-3-5-7-25/h8-10H,3-7H2,1-2H3,(H,24,26)(H,27,28).
What are the key properties of 2-(4-methyl-2-piperidin-1-ylpyrimidin-5-yl)-4-[(4-methyl-1,2-thiazole-5-carbonyl)amino]thiophene-3-carboxylic acid?
2-(4-methyl-2-piperidin-1-ylpyrimidin-5-yl)-4-[(4-methyl-1,2-thiazole-5-carbonyl)amino]thiophene-3-carboxylic acid has a molecular weight of 443.55 g/mol, XLogP of 4.22, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-2-piperidin-1-ylpyrimidin-5-yl)-4-[(4-methyl-1,2-thiazole-5-carbonyl)amino]thiophene-3-carboxylic acid is sourced from PubChem (CID 58191437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).