N-[4-(dimethylamino)phenyl]-2-methyl-1,3-thiazole-5-carboxamide

C13H15N3OS — CID 110861936

IUPACN-[4-(dimethylamino)phenyl]-2-methyl-1,3-thiazole-5-carboxamide
SMILESCc1ncc(C(=O)Nc2ccc(N(C)C)cc2)s1
InChIInChI=1S/C13H15N3OS/c1-9-14-8-12(18-9)13(17)15-10-4-6-11(7-5-10)16(2)3/h4-8H,1-3H3,(H,15,17)
InChIKeyARSKRHXKHNHAFX-UHFFFAOYSA-N
MW261.35 g/mol
LogP2.77
Rot. Bonds3

About N-[4-(dimethylamino)phenyl]-2-methyl-1,3-thiazole-5-carboxamide

N-[4-(dimethylamino)phenyl]-2-methyl-1,3-thiazole-5-carboxamide (PubChem CID 110861936) has the molecular formula C13H15N3OS and a molecular weight of 261.35 g/mol. Its IUPAC name is N-[4-(dimethylamino)phenyl]-2-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)phenyl]-2-methyl-1,3-thiazole-5-carboxamide
PubChem CID110861936
Molecular FormulaC13H15N3OS
Molecular Weight261.35 g/mol
Exact Mass261.09
IUPAC NameN-[4-(dimethylamino)phenyl]-2-methyl-1,3-thiazole-5-carboxamide
SMILESCc1ncc(C(=O)Nc2ccc(N(C)C)cc2)s1
InChIInChI=1S/C13H15N3OS/c1-9-14-8-12(18-9)13(17)15-10-4-6-11(7-5-10)16(2)3/h4-8H,1-3H3,(H,15,17)
InChIKeyARSKRHXKHNHAFX-UHFFFAOYSA-N
XLogP2.77
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-ethylphenyl)-2-methyl-1,3-thiazole-5-carboxamide
CID 110857781
N-(3,4-dimethylphenyl)-2-methyl-1,3-thiazole-5-carboxamide
CID 110857349
2-[4-[(2-methyl-1,3-thiazole-5-carbonyl)amino]phenyl]acetic acid
CID 113424571
N-(1,3-benzodioxol-5-yl)-2-methyl-1,3-thiazole-5-carboxamide
CID 110863143
2-hydroxy-4-[(2-methyl-1,3-thiazole-5-carbonyl)amino]benzoic acid
CID 114030920
N-(3-chloro-4-fluorophenyl)-2-methyl-1,3-thiazole-5-carboxamide
CID 110859324
N-[4-(dimethylamino)phenyl]-4-methylthiophene-2-carboxamide
CID 110861965
N-(3-bromophenyl)-2-methyl-1,3-thiazole-5-carboxamide
CID 110862859
N-[4-(dimethylamino)phenyl]-5-ethyl-4-methylthiophene-2-carboxamide
CID 27228669
2-N,5-N-bis[4-(dimethylamino)phenyl]pyridine-2,5-dicarboxamide
CID 4165025
2-methyl-N-(2-methylphenyl)-1,3-thiazole-5-carboxamide
CID 110856576
4-chloro-N-[4-(dimethylamino)phenyl]thiophene-2-carboxamide
CID 110861967

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)phenyl]-2-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[4-(dimethylamino)phenyl]-2-methyl-1,3-thiazole-5-carboxamide (CID 110861936) is N-[4-(dimethylamino)phenyl]-2-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[4-(dimethylamino)phenyl]-2-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[4-(dimethylamino)phenyl]-2-methyl-1,3-thiazole-5-carboxamide is Cc1ncc(C(=O)Nc2ccc(N(C)C)cc2)s1.
What is the InChIKey of N-[4-(dimethylamino)phenyl]-2-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is ARSKRHXKHNHAFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3OS/c1-9-14-8-12(18-9)13(17)15-10-4-6-11(7-5-10)16(2)3/h4-8H,1-3H3,(H,15,17).
What are the key properties of N-[4-(dimethylamino)phenyl]-2-methyl-1,3-thiazole-5-carboxamide?
N-[4-(dimethylamino)phenyl]-2-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 261.35 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)phenyl]-2-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 110861936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).