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

C18H15FN4O2S — CID 33153477

IUPACN-[4-(carbamoylamino)phenyl]-2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2ccc(F)cc2)sc1C(=O)Nc1ccc(NC(N)=O)cc1
InChIInChI=1S/C18H15FN4O2S/c1-10-15(26-17(21-10)11-2-4-12(19)5-3-11)16(24)22-13-6-8-14(9-7-13)23-18(20)25/h2-9H,1H3,(H,22,24)(H3,20,23,25)
InChIKeyQULSVBHAVSDSHG-UHFFFAOYSA-N
MW370.41 g/mol
LogP4.00
Rot. Bonds4

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

N-[4-(carbamoylamino)phenyl]-2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 33153477) has the molecular formula C18H15FN4O2S and a molecular weight of 370.41 g/mol. Its IUPAC name is N-[4-(carbamoylamino)phenyl]-2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[4-(carbamoylamino)phenyl]-2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID33153477
Molecular FormulaC18H15FN4O2S
Molecular Weight370.41 g/mol
Exact Mass370.09
IUPAC NameN-[4-(carbamoylamino)phenyl]-2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2ccc(F)cc2)sc1C(=O)Nc1ccc(NC(N)=O)cc1
InChIInChI=1S/C18H15FN4O2S/c1-10-15(26-17(21-10)11-2-4-12(19)5-3-11)16(24)22-13-6-8-14(9-7-13)23-18(20)25/h2-9H,1H3,(H,22,24)(H3,20,23,25)
InChIKeyQULSVBHAVSDSHG-UHFFFAOYSA-N
XLogP4.00
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 54.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-methylpropyl 4-[[2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]amino]benzoate
CID 108788246
2-(4-fluorophenyl)-N-(3-hydroxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 78823798
N-[3-fluoro-4-[(R)-methylsulfinyl]phenyl]-2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 99817225
2-(4-fluorophenyl)-N-(4-hexoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 108788224
N-[4-(cyclohexylsulfamoyl)phenyl]-2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 108801114
2-(4-fluorophenyl)-N-[4-methoxy-3-(2-methoxyethoxy)phenyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 55624281
N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 108788199
2-(4-fluorophenyl)-4-methyl-N-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-thiazole-5-carboxamide
CID 30267798
N-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 47083879
2-(4-fluorophenyl)-N-(4-iodo-2-methylphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 108788184
2-(4-fluorophenyl)-N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 108810423
[(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] 2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxylate
CID 8513840

Frequently Asked Questions

What is the IUPAC name of N-[4-(carbamoylamino)phenyl]-2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[4-(carbamoylamino)phenyl]-2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide (CID 33153477) is N-[4-(carbamoylamino)phenyl]-2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[4-(carbamoylamino)phenyl]-2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[4-(carbamoylamino)phenyl]-2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide is Cc1nc(-c2ccc(F)cc2)sc1C(=O)Nc1ccc(NC(N)=O)cc1.
What is the InChIKey of N-[4-(carbamoylamino)phenyl]-2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is QULSVBHAVSDSHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN4O2S/c1-10-15(26-17(21-10)11-2-4-12(19)5-3-11)16(24)22-13-6-8-14(9-7-13)23-18(20)25/h2-9H,1H3,(H,22,24)(H3,20,23,25).
What are the key properties of N-[4-(carbamoylamino)phenyl]-2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide?
N-[4-(carbamoylamino)phenyl]-2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 370.41 g/mol, XLogP of 4.00, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(carbamoylamino)phenyl]-2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 33153477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).