N-(2-amino-5-thiophen-2-ylphenyl)-2-[[4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]-1,3-thiazole-5-carboxamide

C25H24N8OS2 — CID 44611614

IUPACN-(2-amino-5-thiophen-2-ylphenyl)-2-[[4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]-1,3-thiazole-5-carboxamide
SMILESCc1ncc(-c2ccnc(Nc3ncc(C(=O)Nc4cc(-c5cccs5)ccc4N)s3)n2)n1C(C)C
InChIInChI=1S/C25H24N8OS2/c1-14(2)33-15(3)28-12-20(33)18-8-9-27-24(31-18)32-25-29-13-22(36-25)23(34)30-19-11-16(6-7-17(19)26)21-5-4-10-35-21/h4-14H,26H2,1-3H3,(H,30,34)(H,27,29,31,32)
InChIKeyPHEMXEHRJDWOSX-UHFFFAOYSA-N
MW516.66 g/mol
LogP5.99
Rot. Bonds7

About N-(2-amino-5-thiophen-2-ylphenyl)-2-[[4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]-1,3-thiazole-5-carboxamide

N-(2-amino-5-thiophen-2-ylphenyl)-2-[[4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]-1,3-thiazole-5-carboxamide (PubChem CID 44611614) has the molecular formula C25H24N8OS2 and a molecular weight of 516.66 g/mol. Its IUPAC name is N-(2-amino-5-thiophen-2-ylphenyl)-2-[[4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-amino-5-thiophen-2-ylphenyl)-2-[[4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]-1,3-thiazole-5-carboxamide
PubChem CID44611614
Molecular FormulaC25H24N8OS2
Molecular Weight516.66 g/mol
Exact Mass516.15
IUPAC NameN-(2-amino-5-thiophen-2-ylphenyl)-2-[[4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]-1,3-thiazole-5-carboxamide
SMILESCc1ncc(-c2ccnc(Nc3ncc(C(=O)Nc4cc(-c5cccs5)ccc4N)s3)n2)n1C(C)C
InChIInChI=1S/C25H24N8OS2/c1-14(2)33-15(3)28-12-20(33)18-8-9-27-24(31-18)32-25-29-13-22(36-25)23(34)30-19-11-16(6-7-17(19)26)21-5-4-10-35-21/h4-14H,26H2,1-3H3,(H,30,34)(H,27,29,31,32)
InChIKeyPHEMXEHRJDWOSX-UHFFFAOYSA-N
XLogP5.99
TPSA123.64 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.66
LogP ≤ 55.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze N-(2-amino-5-thiophen-2-ylphenyl)-2-[[4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]-1,3-thiazole-5-carboxamide 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 N-(2-amino-5-thiophen-2-ylphenyl)-2-[[4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(2-amino-5-thiophen-2-ylphenyl)-2-[[4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]-1,3-thiazole-5-carboxamide (CID 44611614) is N-(2-amino-5-thiophen-2-ylphenyl)-2-[[4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(2-amino-5-thiophen-2-ylphenyl)-2-[[4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(2-amino-5-thiophen-2-ylphenyl)-2-[[4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]-1,3-thiazole-5-carboxamide is Cc1ncc(-c2ccnc(Nc3ncc(C(=O)Nc4cc(-c5cccs5)ccc4N)s3)n2)n1C(C)C.
What is the InChIKey of N-(2-amino-5-thiophen-2-ylphenyl)-2-[[4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]-1,3-thiazole-5-carboxamide?
The InChIKey is PHEMXEHRJDWOSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N8OS2/c1-14(2)33-15(3)28-12-20(33)18-8-9-27-24(31-18)32-25-29-13-22(36-25)23(34)30-19-11-16(6-7-17(19)26)21-5-4-10-35-21/h4-14H,26H2,1-3H3,(H,30,34)(H,27,29,31,32).
What are the key properties of N-(2-amino-5-thiophen-2-ylphenyl)-2-[[4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]-1,3-thiazole-5-carboxamide?
N-(2-amino-5-thiophen-2-ylphenyl)-2-[[4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]-1,3-thiazole-5-carboxamide has a molecular weight of 516.66 g/mol, XLogP of 5.99, 7 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-5-thiophen-2-ylphenyl)-2-[[4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 44611614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).