N-[[3-[(3-fluorobenzoyl)amino]phenyl]methyl]-4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide

C23H18FN5O2S — CID 55894701

IUPACN-[[3-[(3-fluorobenzoyl)amino]phenyl]methyl]-4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2ncccn2)sc1C(=O)NCc1cccc(NC(=O)c2cccc(F)c2)c1
InChIInChI=1S/C23H18FN5O2S/c1-14-19(32-23(28-14)20-25-9-4-10-26-20)22(31)27-13-15-5-2-8-18(11-15)29-21(30)16-6-3-7-17(24)12-16/h2-12H,13H2,1H3,(H,27,31)(H,29,30)
InChIKeyIOSKGLFHTAJUKO-UHFFFAOYSA-N
MW447.50 g/mol
LogP4.23
Rot. Bonds6

About N-[[3-[(3-fluorobenzoyl)amino]phenyl]methyl]-4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide

N-[[3-[(3-fluorobenzoyl)amino]phenyl]methyl]-4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide (PubChem CID 55894701) has the molecular formula C23H18FN5O2S and a molecular weight of 447.50 g/mol. Its IUPAC name is N-[[3-[(3-fluorobenzoyl)amino]phenyl]methyl]-4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[[3-[(3-fluorobenzoyl)amino]phenyl]methyl]-4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
PubChem CID55894701
Molecular FormulaC23H18FN5O2S
Molecular Weight447.50 g/mol
Exact Mass447.12
IUPAC NameN-[[3-[(3-fluorobenzoyl)amino]phenyl]methyl]-4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2ncccn2)sc1C(=O)NCc1cccc(NC(=O)c2cccc(F)c2)c1
InChIInChI=1S/C23H18FN5O2S/c1-14-19(32-23(28-14)20-25-9-4-10-26-20)22(31)27-13-15-5-2-8-18(11-15)29-21(30)16-6-3-7-17(24)12-16/h2-12H,13H2,1H3,(H,27,31)(H,29,30)
InChIKeyIOSKGLFHTAJUKO-UHFFFAOYSA-N
XLogP4.23
TPSA96.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.50
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3-carbamoylphenyl)methyl]-4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
CID 55872207
N-[(2-methoxy-4-pyridinyl)methyl]-4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
CID 51088106
N-[[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
CID 100617450
3-fluoro-N-[3-[[(3-methyl-1,2,4-thiadiazol-5-yl)amino]methyl]phenyl]benzamide
CID 133319767
2-chloro-N-[(3-fluorophenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 91820954
3-fluoro-N-[3-[[(2-hydroxy-2-methylpropanoyl)amino]methyl]phenyl]benzamide
CID 99834490
3-fluoro-N-[3-[[[2-(3-methoxyphenyl)acetyl]amino]methyl]phenyl]benzamide
CID 55894310
N-[2-(3-chlorophenyl)ethyl]-4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
CID 47061769
N-[3-(cyclopropanecarbonylamino)phenyl]-4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
CID 55814625
N-benzyl-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 9138512
3-fluoro-N-[3-[[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]methyl]phenyl]benzamide
CID 55893293
3-fluoro-N-[3-[(2,3,3,3-tetrafluoropropanoylamino)methyl]phenyl]benzamide
CID 119039957

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(3-fluorobenzoyl)amino]phenyl]methyl]-4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[[3-[(3-fluorobenzoyl)amino]phenyl]methyl]-4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide (CID 55894701) is N-[[3-[(3-fluorobenzoyl)amino]phenyl]methyl]-4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[[3-[(3-fluorobenzoyl)amino]phenyl]methyl]-4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[[3-[(3-fluorobenzoyl)amino]phenyl]methyl]-4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide is Cc1nc(-c2ncccn2)sc1C(=O)NCc1cccc(NC(=O)c2cccc(F)c2)c1.
What is the InChIKey of N-[[3-[(3-fluorobenzoyl)amino]phenyl]methyl]-4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide?
The InChIKey is IOSKGLFHTAJUKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FN5O2S/c1-14-19(32-23(28-14)20-25-9-4-10-26-20)22(31)27-13-15-5-2-8-18(11-15)29-21(30)16-6-3-7-17(24)12-16/h2-12H,13H2,1H3,(H,27,31)(H,29,30).
What are the key properties of N-[[3-[(3-fluorobenzoyl)amino]phenyl]methyl]-4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide?
N-[[3-[(3-fluorobenzoyl)amino]phenyl]methyl]-4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide has a molecular weight of 447.50 g/mol, XLogP of 4.23, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(3-fluorobenzoyl)amino]phenyl]methyl]-4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 55894701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).