N-[4-[[2-(dimethylamino)acetyl]amino]phenyl]-1,3-thiazole-4-carboxamide

C14H16N4O2S — CID 131938859

IUPACN-[4-[[2-(dimethylamino)acetyl]amino]phenyl]-1,3-thiazole-4-carboxamide
SMILESCN(C)CC(=O)Nc1ccc(NC(=O)c2cscn2)cc1
InChIInChI=1S/C14H16N4O2S/c1-18(2)7-13(19)16-10-3-5-11(6-4-10)17-14(20)12-8-21-9-15-12/h3-6,8-9H,7H2,1-2H3,(H,16,19)(H,17,20)
InChIKeyDYSLYNCFNGPPIX-UHFFFAOYSA-N
MW304.38 g/mol
LogP1.90
Rot. Bonds5

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

N-[4-[[2-(dimethylamino)acetyl]amino]phenyl]-1,3-thiazole-4-carboxamide (PubChem CID 131938859) has the molecular formula C14H16N4O2S and a molecular weight of 304.38 g/mol. Its IUPAC name is N-[4-[[2-(dimethylamino)acetyl]amino]phenyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-[[2-(dimethylamino)acetyl]amino]phenyl]-1,3-thiazole-4-carboxamide
PubChem CID131938859
Molecular FormulaC14H16N4O2S
Molecular Weight304.38 g/mol
Exact Mass304.10
IUPAC NameN-[4-[[2-(dimethylamino)acetyl]amino]phenyl]-1,3-thiazole-4-carboxamide
SMILESCN(C)CC(=O)Nc1ccc(NC(=O)c2cscn2)cc1
InChIInChI=1S/C14H16N4O2S/c1-18(2)7-13(19)16-10-3-5-11(6-4-10)17-14(20)12-8-21-9-15-12/h3-6,8-9H,7H2,1-2H3,(H,16,19)(H,17,20)
InChIKeyDYSLYNCFNGPPIX-UHFFFAOYSA-N
XLogP1.90
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.38
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-isopropylphenyl)-1-(1,3-thiazol-4-ylcarbonyl)-3-piperidinamine
CID 24817118
2-ethynyl-N-phenyl-1,3-thiazole-4-carboxamide
CID 168291606
N-(2-piperazin-1-ylphenyl)-2-prop-1-ynyl-1,3-thiazole-4-carboxamide
CID 70696492
N-[6-(2-aminoanilino)-6-oxohexyl]-4-methyl-1,3-thiazole-2-carboxamide
CID 60207628
N-[6-(2-aminoanilino)-6-oxohexyl]-1,3-thiazole-4-carboxamide
CID 60207636
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide
CID 2222284
1-(4-Fluorophenyl)-4-[1-(1,3-thiazol-4-ylcarbonyl)-3-piperidinyl]piperazine
CID 24790331
N-[4-(dimethylamino)phenyl]-2-(2-methyl(1,3-thiazol-4-yl))acetamide
CID 16014493
(S)-N-(1-(2-amino-3-(thiazol-4-yl)propanoyl)piperidin-4-yl)-N-phenylpropionamide
CID 44425371
N-(2-piperidin-1-ylphenyl)-1,3-thiazole-4-carboxamide
CID 62046501
2-Methylthiazole-4-carboxylic acid 3-fluorophenylamide
CID 11492398
2-methyl-N-(pyridin-3-yl)-1,3-thiazole-4-carboxamide
CID 11514058

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-(dimethylamino)acetyl]amino]phenyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[4-[[2-(dimethylamino)acetyl]amino]phenyl]-1,3-thiazole-4-carboxamide (CID 131938859) is N-[4-[[2-(dimethylamino)acetyl]amino]phenyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[4-[[2-(dimethylamino)acetyl]amino]phenyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[4-[[2-(dimethylamino)acetyl]amino]phenyl]-1,3-thiazole-4-carboxamide is CN(C)CC(=O)Nc1ccc(NC(=O)c2cscn2)cc1.
What is the InChIKey of N-[4-[[2-(dimethylamino)acetyl]amino]phenyl]-1,3-thiazole-4-carboxamide?
The InChIKey is DYSLYNCFNGPPIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2S/c1-18(2)7-13(19)16-10-3-5-11(6-4-10)17-14(20)12-8-21-9-15-12/h3-6,8-9H,7H2,1-2H3,(H,16,19)(H,17,20).
What are the key properties of N-[4-[[2-(dimethylamino)acetyl]amino]phenyl]-1,3-thiazole-4-carboxamide?
N-[4-[[2-(dimethylamino)acetyl]amino]phenyl]-1,3-thiazole-4-carboxamide has a molecular weight of 304.38 g/mol, XLogP of 1.90, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-(dimethylamino)acetyl]amino]phenyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 131938859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).