2-[[4-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]phenyl]methyl]-4-[[4-(trifluoromethyl)phenyl]carbamoylamino]-1H-imidazole-5-carboxamide

C24H20F3N7O3S — CID 59508437

IUPAC2-[[4-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]phenyl]methyl]-4-[[4-(trifluoromethyl)phenyl]carbamoylamino]-1H-imidazole-5-carboxamide
SMILESCc1cnc(NC(=O)c2ccc(Cc3nc(NC(=O)Nc4ccc(C(F)(F)F)cc4)c(C(N)=O)[nH]3)cc2)s1
InChIInChI=1S/C24H20F3N7O3S/c1-12-11-29-23(38-12)34-21(36)14-4-2-13(3-5-14)10-17-31-18(19(28)35)20(32-17)33-22(37)30-16-8-6-15(7-9-16)24(25,26)27/h2-9,11H,10H2,1H3,(H2,28,35)(H,31,32)(H,29,34,36)(H2,30,33,37)
InChIKeyQXKTWTJTAZFYKI-UHFFFAOYSA-N
MW543.53 g/mol
LogP4.78
Rot. Bonds7

About 2-[[4-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]phenyl]methyl]-4-[[4-(trifluoromethyl)phenyl]carbamoylamino]-1H-imidazole-5-carboxamide

2-[[4-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]phenyl]methyl]-4-[[4-(trifluoromethyl)phenyl]carbamoylamino]-1H-imidazole-5-carboxamide (PubChem CID 59508437) has the molecular formula C24H20F3N7O3S and a molecular weight of 543.53 g/mol. Its IUPAC name is 2-[[4-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]phenyl]methyl]-4-[[4-(trifluoromethyl)phenyl]carbamoylamino]-1H-imidazole-5-carboxamide.

Molecular Properties

Compound Name2-[[4-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]phenyl]methyl]-4-[[4-(trifluoromethyl)phenyl]carbamoylamino]-1H-imidazole-5-carboxamide
PubChem CID59508437
Molecular FormulaC24H20F3N7O3S
Molecular Weight543.53 g/mol
Exact Mass543.13
IUPAC Name2-[[4-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]phenyl]methyl]-4-[[4-(trifluoromethyl)phenyl]carbamoylamino]-1H-imidazole-5-carboxamide
SMILESCc1cnc(NC(=O)c2ccc(Cc3nc(NC(=O)Nc4ccc(C(F)(F)F)cc4)c(C(N)=O)[nH]3)cc2)s1
InChIInChI=1S/C24H20F3N7O3S/c1-12-11-29-23(38-12)34-21(36)14-4-2-13(3-5-14)10-17-31-18(19(28)35)20(32-17)33-22(37)30-16-8-6-15(7-9-16)24(25,26)27/h2-9,11H,10H2,1H3,(H2,28,35)(H,31,32)(H,29,34,36)(H2,30,33,37)
InChIKeyQXKTWTJTAZFYKI-UHFFFAOYSA-N
XLogP4.78
TPSA154.89 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500543.53
LogP ≤ 54.78
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[4-[hydroxy(methyl)carbamoyl]phenyl]methyl]-4-[[4-(trifluoromethyl)phenyl]carbamoylamino]-1H-imidazole-5-carboxylic acid
CID 122437562
4-[[4-(trifluoromethyl)phenyl]carbamoylamino]-1H-imidazole-5-carboxamide
CID 161327614
4-(ethylamino)-N-(5-methyl-1,3-thiazol-2-yl)benzamide
CID 62165674
2-[4-[[5-carbamoyl-4-[[3-(methylcarbamoyl)phenyl]carbamoylamino]-1H-imidazol-2-yl]methyl]phenoxy]acetic acid
CID 59508458
4-[[4-(trifluoromethyl)phenyl]carbamoylamino]benzamide
CID 108896282
[4-[[5-carbamoyl-4-[(4-propan-2-ylphenyl)carbamoylamino]-1H-imidazol-2-yl]methyl]phenyl] butaneperoxoate
CID 90765112
4-N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]benzene-1,4-dicarboxamide
CID 51202299
2-phosphanyl-N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide
CID 90448889
N-(5-methyl-1,3-thiazol-2-yl)-2-[4-(trifluoromethyl)phenoxy]acetamide
CID 46491720
N-(5-methyl-1,3-thiazol-2-yl)-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 51198051
N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3,4-thiadiazol-2-yl]-1,2,3,4-tetrahydroisoquinoline-6-carboxamide;hydrochloride
CID 68764988
N-[[4-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]phenyl]methyl]adamantane-1-carboxamide
CID 37018670

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]phenyl]methyl]-4-[[4-(trifluoromethyl)phenyl]carbamoylamino]-1H-imidazole-5-carboxamide?
The IUPAC name of 2-[[4-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]phenyl]methyl]-4-[[4-(trifluoromethyl)phenyl]carbamoylamino]-1H-imidazole-5-carboxamide (CID 59508437) is 2-[[4-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]phenyl]methyl]-4-[[4-(trifluoromethyl)phenyl]carbamoylamino]-1H-imidazole-5-carboxamide.
What is the SMILES notation for 2-[[4-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]phenyl]methyl]-4-[[4-(trifluoromethyl)phenyl]carbamoylamino]-1H-imidazole-5-carboxamide?
The canonical SMILES for 2-[[4-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]phenyl]methyl]-4-[[4-(trifluoromethyl)phenyl]carbamoylamino]-1H-imidazole-5-carboxamide is Cc1cnc(NC(=O)c2ccc(Cc3nc(NC(=O)Nc4ccc(C(F)(F)F)cc4)c(C(N)=O)[nH]3)cc2)s1.
What is the InChIKey of 2-[[4-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]phenyl]methyl]-4-[[4-(trifluoromethyl)phenyl]carbamoylamino]-1H-imidazole-5-carboxamide?
The InChIKey is QXKTWTJTAZFYKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F3N7O3S/c1-12-11-29-23(38-12)34-21(36)14-4-2-13(3-5-14)10-17-31-18(19(28)35)20(32-17)33-22(37)30-16-8-6-15(7-9-16)24(25,26)27/h2-9,11H,10H2,1H3,(H2,28,35)(H,31,32)(H,29,34,36)(H2,30,33,37).
What are the key properties of 2-[[4-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]phenyl]methyl]-4-[[4-(trifluoromethyl)phenyl]carbamoylamino]-1H-imidazole-5-carboxamide?
2-[[4-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]phenyl]methyl]-4-[[4-(trifluoromethyl)phenyl]carbamoylamino]-1H-imidazole-5-carboxamide has a molecular weight of 543.53 g/mol, XLogP of 4.78, 7 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]phenyl]methyl]-4-[[4-(trifluoromethyl)phenyl]carbamoylamino]-1H-imidazole-5-carboxamide is sourced from PubChem (CID 59508437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).