4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]butanamide

C20H23N5OS — CID 108810165

IUPAC4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]butanamide
SMILESCc1cc(C)nc(NCCCC(=O)Nc2ccc(-c3csc(C)n3)cc2)n1
InChIInChI=1S/C20H23N5OS/c1-13-11-14(2)23-20(22-13)21-10-4-5-19(26)25-17-8-6-16(7-9-17)18-12-27-15(3)24-18/h6-9,11-12H,4-5,10H2,1-3H3,(H,25,26)(H,21,22,23)
InChIKeyCEDOBIIDCZDNKT-UHFFFAOYSA-N
MW381.51 g/mol
LogP4.36
Rot. Bonds7

About 4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]butanamide

4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]butanamide (PubChem CID 108810165) has the molecular formula C20H23N5OS and a molecular weight of 381.51 g/mol. Its IUPAC name is 4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]butanamide.

Molecular Properties

Compound Name4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]butanamide
PubChem CID108810165
Molecular FormulaC20H23N5OS
Molecular Weight381.51 g/mol
Exact Mass381.16
IUPAC Name4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]butanamide
SMILESCc1cc(C)nc(NCCCC(=O)Nc2ccc(-c3csc(C)n3)cc2)n1
InChIInChI=1S/C20H23N5OS/c1-13-11-14(2)23-20(22-13)21-10-4-5-19(26)25-17-8-6-16(7-9-17)18-12-27-15(3)24-18/h6-9,11-12H,4-5,10H2,1-3H3,(H,25,26)(H,21,22,23)
InChIKeyCEDOBIIDCZDNKT-UHFFFAOYSA-N
XLogP4.36
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.51
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2,2-dimethyl-N-[4-[4-(2-methyl-1,3-thiazol-4-yl)anilino]-4-oxobutyl]propanamide
CID 32757711
3-bromo-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]propanamide
CID 108727345
N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-4-phenylbutanamide
CID 2978695
4-(2-methylphenoxy)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]butanamide
CID 108751389
4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-(4-sulfamoylphenyl)butanamide
CID 108787748
2-methoxy-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 51239098
N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-4-oxo-4-phenylbutanamide
CID 8534002
3-(3-methylphenyl)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]propanamide
CID 122286611
4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[2-(4-methylanilino)phenyl]butanamide
CID 108800818
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-[(4,6-dimethylpyrimidin-2-yl)amino]butanamide
CID 108800716
3-(2,5-dioxopyrrolidin-1-yl)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]propanamide
CID 8541420
tert-butyl N-[(E)-4-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]carbamoylamino]but-2-enyl]carbamate
CID 99801662

Frequently Asked Questions

What is the IUPAC name of 4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]butanamide?
The IUPAC name of 4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]butanamide (CID 108810165) is 4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]butanamide.
What is the SMILES notation for 4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]butanamide?
The canonical SMILES for 4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]butanamide is Cc1cc(C)nc(NCCCC(=O)Nc2ccc(-c3csc(C)n3)cc2)n1.
What is the InChIKey of 4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]butanamide?
The InChIKey is CEDOBIIDCZDNKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5OS/c1-13-11-14(2)23-20(22-13)21-10-4-5-19(26)25-17-8-6-16(7-9-17)18-12-27-15(3)24-18/h6-9,11-12H,4-5,10H2,1-3H3,(H,25,26)(H,21,22,23).
What are the key properties of 4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]butanamide?
4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]butanamide has a molecular weight of 381.51 g/mol, XLogP of 4.36, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]butanamide is sourced from PubChem (CID 108810165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).