N-(2,6-dimethylphenyl)-2-[(4-fluorophenyl)carbamoylamino]-4-methyl-1,3-thiazole-5-carboxamide

C20H19FN4O2S — CID 16897789

IUPACN-(2,6-dimethylphenyl)-2-[(4-fluorophenyl)carbamoylamino]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1cccc(C)c1NC(=O)c1sc(NC(=O)Nc2ccc(F)cc2)nc1C
InChIInChI=1S/C20H19FN4O2S/c1-11-5-4-6-12(2)16(11)24-18(26)17-13(3)22-20(28-17)25-19(27)23-15-9-7-14(21)8-10-15/h4-10H,1-3H3,(H,24,26)(H2,22,23,25,27)
InChIKeyNNIYQFNJDIVXBG-UHFFFAOYSA-N
MW398.46 g/mol
LogP5.10
Rot. Bonds4

About N-(2,6-dimethylphenyl)-2-[(4-fluorophenyl)carbamoylamino]-4-methyl-1,3-thiazole-5-carboxamide

N-(2,6-dimethylphenyl)-2-[(4-fluorophenyl)carbamoylamino]-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 16897789) has the molecular formula C20H19FN4O2S and a molecular weight of 398.46 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-2-[(4-fluorophenyl)carbamoylamino]-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-2-[(4-fluorophenyl)carbamoylamino]-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID16897789
Molecular FormulaC20H19FN4O2S
Molecular Weight398.46 g/mol
Exact Mass398.12
IUPAC NameN-(2,6-dimethylphenyl)-2-[(4-fluorophenyl)carbamoylamino]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1cccc(C)c1NC(=O)c1sc(NC(=O)Nc2ccc(F)cc2)nc1C
InChIInChI=1S/C20H19FN4O2S/c1-11-5-4-6-12(2)16(11)24-18(26)17-13(3)22-20(28-17)25-19(27)23-15-9-7-14(21)8-10-15/h4-10H,1-3H3,(H,24,26)(H2,22,23,25,27)
InChIKeyNNIYQFNJDIVXBG-UHFFFAOYSA-N
XLogP5.10
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.46
LogP ≤ 55.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-fluorophenyl)carbamoylamino]-4-methyl-N-(2-methylphenyl)-1,3-thiazole-5-carboxamide
CID 16897753
2-[(4-fluorophenyl)carbamoylamino]-N-(4-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 16897770
2-[(4-fluorophenyl)carbamoylamino]-N-(4-methoxy-3-methylphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 16897818
4-methyl-N-(4-methyl-1,3-benzothiazol-2-yl)-2-(phenylcarbamoylamino)-1,3-thiazole-5-carboxamide
CID 16897101
N,N-diethyl-2-[(4-fluorophenyl)carbamoylamino]-4-methyl-1,3-thiazole-5-carboxamide
CID 16897694
4-methyl-N-(4-methylphenyl)-2-[(3-methylphenyl)carbamoylamino]-1,3-thiazole-5-carboxamide
CID 16897185
N-(4-chlorophenyl)-4-methyl-2-(phenylcarbamoylamino)-1,3-thiazole-5-carboxamide
CID 16897056
N-(3,4-dimethylphenyl)-4-methyl-2-[(4-methylphenyl)carbamoylamino]-1,3-thiazole-5-carboxamide
CID 16897357
N,4-dimethyl-2-[(4-methylphenyl)carbamoylamino]-1,3-thiazole-5-carboxamide
CID 16897397
N-(3-methoxyphenyl)-4-methyl-2-(phenylcarbamoylamino)-1,3-thiazole-5-carboxamide
CID 16897062
4-methyl-N-(2-methylphenyl)-2-[(3-methylphenyl)carbamoylamino]-1,3-thiazole-5-carboxamide
CID 16897183
N-(3-bromophenyl)-2-[(4-chlorophenyl)carbamoylamino]-4-methyl-1,3-thiazole-5-carboxamide
CID 16897620

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-2-[(4-fluorophenyl)carbamoylamino]-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(2,6-dimethylphenyl)-2-[(4-fluorophenyl)carbamoylamino]-4-methyl-1,3-thiazole-5-carboxamide (CID 16897789) is N-(2,6-dimethylphenyl)-2-[(4-fluorophenyl)carbamoylamino]-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-2-[(4-fluorophenyl)carbamoylamino]-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-2-[(4-fluorophenyl)carbamoylamino]-4-methyl-1,3-thiazole-5-carboxamide is Cc1cccc(C)c1NC(=O)c1sc(NC(=O)Nc2ccc(F)cc2)nc1C.
What is the InChIKey of N-(2,6-dimethylphenyl)-2-[(4-fluorophenyl)carbamoylamino]-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is NNIYQFNJDIVXBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4O2S/c1-11-5-4-6-12(2)16(11)24-18(26)17-13(3)22-20(28-17)25-19(27)23-15-9-7-14(21)8-10-15/h4-10H,1-3H3,(H,24,26)(H2,22,23,25,27).
What are the key properties of N-(2,6-dimethylphenyl)-2-[(4-fluorophenyl)carbamoylamino]-4-methyl-1,3-thiazole-5-carboxamide?
N-(2,6-dimethylphenyl)-2-[(4-fluorophenyl)carbamoylamino]-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 398.46 g/mol, XLogP of 5.10, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-2-[(4-fluorophenyl)carbamoylamino]-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 16897789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).