N-[4-(dimethylamino)phenyl]-2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)acetamide

C19H20N4OS — CID 110329127

IUPACN-[4-(dimethylamino)phenyl]-2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)acetamide
SMILESCc1nc(-c2cccnc2)sc1CC(=O)Nc1ccc(N(C)C)cc1
InChIInChI=1S/C19H20N4OS/c1-13-17(25-19(21-13)14-5-4-10-20-12-14)11-18(24)22-15-6-8-16(9-7-15)23(2)3/h4-10,12H,11H2,1-3H3,(H,22,24)
InChIKeyHEBRJFOMHJFQQP-UHFFFAOYSA-N
MW352.46 g/mol
LogP3.76
Rot. Bonds5

About N-[4-(dimethylamino)phenyl]-2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)acetamide

N-[4-(dimethylamino)phenyl]-2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)acetamide (PubChem CID 110329127) has the molecular formula C19H20N4OS and a molecular weight of 352.46 g/mol. Its IUPAC name is N-[4-(dimethylamino)phenyl]-2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)acetamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)phenyl]-2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)acetamide
PubChem CID110329127
Molecular FormulaC19H20N4OS
Molecular Weight352.46 g/mol
Exact Mass352.14
IUPAC NameN-[4-(dimethylamino)phenyl]-2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)acetamide
SMILESCc1nc(-c2cccnc2)sc1CC(=O)Nc1ccc(N(C)C)cc1
InChIInChI=1S/C19H20N4OS/c1-13-17(25-19(21-13)14-5-4-10-20-12-14)11-18(24)22-15-6-8-16(9-7-15)23(2)3/h4-10,12H,11H2,1-3H3,(H,22,24)
InChIKeyHEBRJFOMHJFQQP-UHFFFAOYSA-N
XLogP3.76
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-(4-methylphenyl)-2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)acetamide
CID 110329096
N-[4-(dimethylamino)phenyl]-2-[2-(3-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]acetamide
CID 110329505
1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)propan-2-one
CID 82289672
N-methyl-2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-phenylacetamide
CID 110329097
2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)acetamide
CID 23467885
2-[4-(dimethylamino)phenyl]-N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)methyl]phenyl]acetamide
CID 58398653
1,1-diethyl-3-[2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethyl]urea
CID 110395265
N-[4-(diethylamino)phenyl]-2-(2,4-dimethyl-1,3-thiazol-5-yl)acetamide
CID 110328812
N-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-2-pyridin-3-ylacetamide
CID 75503297
2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]-N-(4-methoxyphenyl)acetamide
CID 110329363
2-(4-methoxyphenyl)-N-[2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethyl]acetamide
CID 110395233
2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-N-(3,4,5-trimethoxyphenyl)acetamide
CID 110328896

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)phenyl]-2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)acetamide?
The IUPAC name of N-[4-(dimethylamino)phenyl]-2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)acetamide (CID 110329127) is N-[4-(dimethylamino)phenyl]-2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)acetamide.
What is the SMILES notation for N-[4-(dimethylamino)phenyl]-2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)acetamide?
The canonical SMILES for N-[4-(dimethylamino)phenyl]-2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)acetamide is Cc1nc(-c2cccnc2)sc1CC(=O)Nc1ccc(N(C)C)cc1.
What is the InChIKey of N-[4-(dimethylamino)phenyl]-2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)acetamide?
The InChIKey is HEBRJFOMHJFQQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4OS/c1-13-17(25-19(21-13)14-5-4-10-20-12-14)11-18(24)22-15-6-8-16(9-7-15)23(2)3/h4-10,12H,11H2,1-3H3,(H,22,24).
What are the key properties of N-[4-(dimethylamino)phenyl]-2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)acetamide?
N-[4-(dimethylamino)phenyl]-2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)acetamide has a molecular weight of 352.46 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)phenyl]-2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)acetamide is sourced from PubChem (CID 110329127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).