N-[2-fluoro-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]thiophene-3-carboxamide

C16H10F4N4OS — CID 71891871

IUPACN-[2-fluoro-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]thiophene-3-carboxamide
SMILESO=C(Nc1cc(Nc2nccc(C(F)(F)F)n2)ccc1F)c1ccsc1
InChIInChI=1S/C16H10F4N4OS/c17-11-2-1-10(7-12(11)23-14(25)9-4-6-26-8-9)22-15-21-5-3-13(24-15)16(18,19)20/h1-8H,(H,23,25)(H,21,22,24)
InChIKeyMRJPAQBKYDRUNJ-UHFFFAOYSA-N
MW382.34 g/mol
LogP4.69
Rot. Bonds4

About N-[2-fluoro-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]thiophene-3-carboxamide

N-[2-fluoro-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]thiophene-3-carboxamide (PubChem CID 71891871) has the molecular formula C16H10F4N4OS and a molecular weight of 382.34 g/mol. Its IUPAC name is N-[2-fluoro-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[2-fluoro-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]thiophene-3-carboxamide
PubChem CID71891871
Molecular FormulaC16H10F4N4OS
Molecular Weight382.34 g/mol
Exact Mass382.05
IUPAC NameN-[2-fluoro-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]thiophene-3-carboxamide
SMILESO=C(Nc1cc(Nc2nccc(C(F)(F)F)n2)ccc1F)c1ccsc1
InChIInChI=1S/C16H10F4N4OS/c17-11-2-1-10(7-12(11)23-14(25)9-4-6-26-8-9)22-15-21-5-3-13(24-15)16(18,19)20/h1-8H,(H,23,25)(H,21,22,24)
InChIKeyMRJPAQBKYDRUNJ-UHFFFAOYSA-N
XLogP4.69
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.34
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-fluoro-4-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]benzoic acid
CID 107793354
2-bromo-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]benzoic acid
CID 115296111
tert-butyl N-[2-fluoro-5-[[2-(thiophene-3-carbonylamino)benzoyl]amino]phenyl]carbamate
CID 55969188
3-[3-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]benzamide
CID 129010764
2-methyl-N-[4-(trifluoromethyl)pyrimidin-2-yl]-1,3-benzothiazol-6-amine
CID 36574929
N-(6-fluoro-3-pyridinyl)thiophene-3-carboxamide
CID 103789756
3-(thiophene-3-carbonylamino)-5-(trifluoromethyl)benzoic acid
CID 61234942
4-[3-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]phenol
CID 129010750
N-(2,5-dichlorophenyl)-4-(trifluoromethyl)pyrimidin-2-amine
CID 154454877
N-[4-amino-2-(trifluoromethyl)phenyl]thiophene-3-carboxamide
CID 43548409
N'-[4-fluoro-3-(thiophene-3-carbonylamino)phenyl]-N-(oxolan-2-ylmethyl)oxamide
CID 71894849
N-[4-[[4-(1,1-difluoroethyl)pyrimidin-2-yl]amino]phenyl]acetamide
CID 166358351

Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]thiophene-3-carboxamide?
The IUPAC name of N-[2-fluoro-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]thiophene-3-carboxamide (CID 71891871) is N-[2-fluoro-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]thiophene-3-carboxamide.
What is the SMILES notation for N-[2-fluoro-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]thiophene-3-carboxamide?
The canonical SMILES for N-[2-fluoro-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]thiophene-3-carboxamide is O=C(Nc1cc(Nc2nccc(C(F)(F)F)n2)ccc1F)c1ccsc1.
What is the InChIKey of N-[2-fluoro-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]thiophene-3-carboxamide?
The InChIKey is MRJPAQBKYDRUNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F4N4OS/c17-11-2-1-10(7-12(11)23-14(25)9-4-6-26-8-9)22-15-21-5-3-13(24-15)16(18,19)20/h1-8H,(H,23,25)(H,21,22,24).
What are the key properties of N-[2-fluoro-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]thiophene-3-carboxamide?
N-[2-fluoro-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]thiophene-3-carboxamide has a molecular weight of 382.34 g/mol, XLogP of 4.69, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]thiophene-3-carboxamide is sourced from PubChem (CID 71891871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).