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

C15H16N4OS — CID 110387311

IUPACN-(3-cyanophenyl)-2-[(dimethylamino)methyl]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(CN(C)C)sc1C(=O)Nc1cccc(C#N)c1
InChIInChI=1S/C15H16N4OS/c1-10-14(21-13(17-10)9-19(2)3)15(20)18-12-6-4-5-11(7-12)8-16/h4-7H,9H2,1-3H3,(H,18,20)
InChIKeyMVILCEYIMYBVLJ-UHFFFAOYSA-N
MW300.39 g/mol
LogP2.64
Rot. Bonds4

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

N-(3-cyanophenyl)-2-[(dimethylamino)methyl]-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 110387311) has the molecular formula C15H16N4OS and a molecular weight of 300.39 g/mol. Its IUPAC name is N-(3-cyanophenyl)-2-[(dimethylamino)methyl]-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-2-[(dimethylamino)methyl]-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID110387311
Molecular FormulaC15H16N4OS
Molecular Weight300.39 g/mol
Exact Mass300.10
IUPAC NameN-(3-cyanophenyl)-2-[(dimethylamino)methyl]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(CN(C)C)sc1C(=O)Nc1cccc(C#N)c1
InChIInChI=1S/C15H16N4OS/c1-10-14(21-13(17-10)9-19(2)3)15(20)18-12-6-4-5-11(7-12)8-16/h4-7H,9H2,1-3H3,(H,18,20)
InChIKeyMVILCEYIMYBVLJ-UHFFFAOYSA-N
XLogP2.64
TPSA69.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.39
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(dimethylamino)methyl]-N-(4-ethylphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 110387274
2-(3-chlorophenyl)-N-(3-cyanophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 9192536
2-[(dimethylamino)methyl]-4-methyl-N-(4-phenoxyphenyl)-1,3-thiazole-5-carboxamide
CID 110387303
N-(3-cyanophenyl)-3-(4-methylphenyl)thiophene-2-carboxamide
CID 9192526
N-(3-cyanophenyl)-2,6-dimethylpyridine-3-carboxamide
CID 47300067
2-(methoxymethyl)-N-(3-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 110374885
2-benzyl-4-methyl-N-(3-methylphenyl)-1,3-thiazole-5-carboxamide
CID 39886571
N-(3-cyanophenyl)-2,4-dimethyl-6-oxo-1H-pyrimidine-5-carboxamide
CID 136669999
N-(3-cyanophenyl)-3-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide
CID 63798841
2-(dimethylamino)-4-methyl-N-(3-methylphenyl)-1,3-thiazole-5-carboxamide
CID 75437740
2-[(2,5-dimethylphenoxy)methyl]-4-methyl-N-(3-methylphenyl)-1,3-thiazole-5-carboxamide
CID 46741195
N-(3-cyanophenyl)-2-[3-(dimethylamino)propylamino]-6-methylpyrimidine-4-carboxamide
CID 109325549

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-2-[(dimethylamino)methyl]-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(3-cyanophenyl)-2-[(dimethylamino)methyl]-4-methyl-1,3-thiazole-5-carboxamide (CID 110387311) is N-(3-cyanophenyl)-2-[(dimethylamino)methyl]-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(3-cyanophenyl)-2-[(dimethylamino)methyl]-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(3-cyanophenyl)-2-[(dimethylamino)methyl]-4-methyl-1,3-thiazole-5-carboxamide is Cc1nc(CN(C)C)sc1C(=O)Nc1cccc(C#N)c1.
What is the InChIKey of N-(3-cyanophenyl)-2-[(dimethylamino)methyl]-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is MVILCEYIMYBVLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4OS/c1-10-14(21-13(17-10)9-19(2)3)15(20)18-12-6-4-5-11(7-12)8-16/h4-7H,9H2,1-3H3,(H,18,20).
What are the key properties of N-(3-cyanophenyl)-2-[(dimethylamino)methyl]-4-methyl-1,3-thiazole-5-carboxamide?
N-(3-cyanophenyl)-2-[(dimethylamino)methyl]-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 300.39 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-2-[(dimethylamino)methyl]-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 110387311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).