N-[4-[4-(3-methylphenyl)-2-propyl-1,3-thiazol-5-yl]-2-pyridinyl]-2-phenylacetamide

C26H25N3OS — CID 10113346

IUPACN-[4-[4-(3-methylphenyl)-2-propyl-1,3-thiazol-5-yl]-2-pyridinyl]-2-phenylacetamide
SMILESCCCc1nc(-c2cccc(C)c2)c(-c2ccnc(NC(=O)Cc3ccccc3)c2)s1
InChIInChI=1S/C26H25N3OS/c1-3-8-24-29-25(20-12-7-9-18(2)15-20)26(31-24)21-13-14-27-22(17-21)28-23(30)16-19-10-5-4-6-11-19/h4-7,9-15,17H,3,8,16H2,1-2H3,(H,27,28,30)
InChIKeyCMUUIQIXHFCRMI-UHFFFAOYSA-N
MW427.57 g/mol
LogP6.31
Rot. Bonds7

About N-[4-[4-(3-methylphenyl)-2-propyl-1,3-thiazol-5-yl]-2-pyridinyl]-2-phenylacetamide

N-[4-[4-(3-methylphenyl)-2-propyl-1,3-thiazol-5-yl]-2-pyridinyl]-2-phenylacetamide (PubChem CID 10113346) has the molecular formula C26H25N3OS and a molecular weight of 427.57 g/mol. Its IUPAC name is N-[4-[4-(3-methylphenyl)-2-propyl-1,3-thiazol-5-yl]-2-pyridinyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[4-[4-(3-methylphenyl)-2-propyl-1,3-thiazol-5-yl]-2-pyridinyl]-2-phenylacetamide
PubChem CID10113346
Molecular FormulaC26H25N3OS
Molecular Weight427.57 g/mol
Exact Mass427.17
IUPAC NameN-[4-[4-(3-methylphenyl)-2-propyl-1,3-thiazol-5-yl]-2-pyridinyl]-2-phenylacetamide
SMILESCCCc1nc(-c2cccc(C)c2)c(-c2ccnc(NC(=O)Cc3ccccc3)c2)s1
InChIInChI=1S/C26H25N3OS/c1-3-8-24-29-25(20-12-7-9-18(2)15-20)26(31-24)21-13-14-27-22(17-21)28-23(30)16-19-10-5-4-6-11-19/h4-7,9-15,17H,3,8,16H2,1-2H3,(H,27,28,30)
InChIKeyCMUUIQIXHFCRMI-UHFFFAOYSA-N
XLogP6.31
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.57
LogP ≤ 56.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[4-(3-methylphenyl)-2-(2-methylsulfanylethyl)-1,3-thiazol-5-yl]-2-pyridinyl]propanamide
CID 57349391
4-(3-methylphenyl)-2-propyl-1,3-thiazole-5-carboxylic acid
CID 82226923
4-[2-ethyl-4-(3-methylphenyl)-1,3-thiazol-5-yl]-N-[(1R)-1-phenylethyl]pyridin-2-amine
CID 10294370
2-[5-(2-acetamido-4-pyridinyl)-4-(3-chlorophenyl)-1,3-thiazol-2-yl]acetic acid
CID 68830076
N-(4-methyl-2-pyridinyl)-2-phenylacetamide
CID 4232423
5-(2-chloro-4-pyridinyl)-2-ethyl-4-(3-methylphenyl)-1,3-thiazole
CID 11674063
4-(3-methylphenyl)-5-(2-methyl-4-pyridinyl)-2-phenyl-1,3-thiazole
CID 22932739
N-[1-[4-[2-ethyl-4-(3-methylphenyl)-1,3-thiazol-5-yl]-2-pyridinyl]cyclopentyl]acetamide
CID 68831528
2-ethyl-4-(3-methylphenyl)-5-(2-pyrrolidin-1-yl-4-pyridinyl)-1,3-thiazole
CID 11710028
4-phenyl-2-propyl-1,3-thiazole-5-carboxylic acid
CID 79015048
N-[[5-[2-(cyclohexylamino)-4-pyridinyl]-4-(3-methylphenyl)-1,3-thiazol-2-yl]methyl]pyridine-3-carboxamide
CID 90686694
2-[(2-fluorophenyl)methyl]-4-(3-methylphenyl)-1,3-thiazole-5-carboxylic acid
CID 82227149

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(3-methylphenyl)-2-propyl-1,3-thiazol-5-yl]-2-pyridinyl]-2-phenylacetamide?
The IUPAC name of N-[4-[4-(3-methylphenyl)-2-propyl-1,3-thiazol-5-yl]-2-pyridinyl]-2-phenylacetamide (CID 10113346) is N-[4-[4-(3-methylphenyl)-2-propyl-1,3-thiazol-5-yl]-2-pyridinyl]-2-phenylacetamide.
What is the SMILES notation for N-[4-[4-(3-methylphenyl)-2-propyl-1,3-thiazol-5-yl]-2-pyridinyl]-2-phenylacetamide?
The canonical SMILES for N-[4-[4-(3-methylphenyl)-2-propyl-1,3-thiazol-5-yl]-2-pyridinyl]-2-phenylacetamide is CCCc1nc(-c2cccc(C)c2)c(-c2ccnc(NC(=O)Cc3ccccc3)c2)s1.
What is the InChIKey of N-[4-[4-(3-methylphenyl)-2-propyl-1,3-thiazol-5-yl]-2-pyridinyl]-2-phenylacetamide?
The InChIKey is CMUUIQIXHFCRMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3OS/c1-3-8-24-29-25(20-12-7-9-18(2)15-20)26(31-24)21-13-14-27-22(17-21)28-23(30)16-19-10-5-4-6-11-19/h4-7,9-15,17H,3,8,16H2,1-2H3,(H,27,28,30).
What are the key properties of N-[4-[4-(3-methylphenyl)-2-propyl-1,3-thiazol-5-yl]-2-pyridinyl]-2-phenylacetamide?
N-[4-[4-(3-methylphenyl)-2-propyl-1,3-thiazol-5-yl]-2-pyridinyl]-2-phenylacetamide has a molecular weight of 427.57 g/mol, XLogP of 6.31, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(3-methylphenyl)-2-propyl-1,3-thiazol-5-yl]-2-pyridinyl]-2-phenylacetamide is sourced from PubChem (CID 10113346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).