N-[3-(carbamoylamino)-4-fluorophenyl]thiomorpholine-4-carboxamide

C12H15FN4O2S — CID 131961768

IUPACN-[3-(carbamoylamino)-4-fluorophenyl]thiomorpholine-4-carboxamide
SMILESNC(=O)Nc1cc(NC(=O)N2CCSCC2)ccc1F
InChIInChI=1S/C12H15FN4O2S/c13-9-2-1-8(7-10(9)16-11(14)18)15-12(19)17-3-5-20-6-4-17/h1-2,7H,3-6H2,(H,15,19)(H3,14,16,18)
InChIKeyZQKBHKQFYJWMPY-UHFFFAOYSA-N
MW298.34 g/mol
LogP1.90
Rot. Bonds2

About N-[3-(carbamoylamino)-4-fluorophenyl]thiomorpholine-4-carboxamide

N-[3-(carbamoylamino)-4-fluorophenyl]thiomorpholine-4-carboxamide (PubChem CID 131961768) has the molecular formula C12H15FN4O2S and a molecular weight of 298.34 g/mol. Its IUPAC name is N-[3-(carbamoylamino)-4-fluorophenyl]thiomorpholine-4-carboxamide.

Molecular Properties

Compound NameN-[3-(carbamoylamino)-4-fluorophenyl]thiomorpholine-4-carboxamide
PubChem CID131961768
Molecular FormulaC12H15FN4O2S
Molecular Weight298.34 g/mol
Exact Mass298.09
IUPAC NameN-[3-(carbamoylamino)-4-fluorophenyl]thiomorpholine-4-carboxamide
SMILESNC(=O)Nc1cc(NC(=O)N2CCSCC2)ccc1F
InChIInChI=1S/C12H15FN4O2S/c13-9-2-1-8(7-10(9)16-11(14)18)15-12(19)17-3-5-20-6-4-17/h1-2,7H,3-6H2,(H,15,19)(H3,14,16,18)
InChIKeyZQKBHKQFYJWMPY-UHFFFAOYSA-N
XLogP1.90
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 51.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(carbamoylamino)-4-fluorophenyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)azetidine-1-carboxamide
CID 167814809
N-(3,4-difluorophenyl)piperidine-1-carboxamide
CID 90728139
2-chloro-5-(1,4-thiazepane-4-carbonylamino)benzoic acid
CID 61423625
N-(3,4-difluorophenyl)-4-methylpiperazine-1-carboxamide
CID 21019691
N-(3-acetamido-4-fluorophenyl)-4-morpholin-4-ylsulfonylpiperazine-1-carboxamide
CID 55698487
N-(3-chloro-4-fluorophenyl)piperidine-1-carboxamide
CID 108987923
N-(2-methyl-1-benzofuran-5-yl)thiomorpholine-4-carboxamide
CID 72870610
N-(3-ethylphenyl)thiomorpholine-4-carboxamide
CID 3537953
N-(1-methylindazol-5-yl)thiomorpholine-4-carboxamide
CID 72893991
N-[4-fluoro-3-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide
CID 47456948
(1R,2R,6S,7S)-N-(3-acetamido-4-fluorophenyl)-4-azatricyclo[5.2.1.02,6]decane-4-carboxamide
CID 72855276
N-(2-methyl-1-oxoisoquinolin-7-yl)thiomorpholine-4-carboxamide
CID 119053057

Frequently Asked Questions

What is the IUPAC name of N-[3-(carbamoylamino)-4-fluorophenyl]thiomorpholine-4-carboxamide?
The IUPAC name of N-[3-(carbamoylamino)-4-fluorophenyl]thiomorpholine-4-carboxamide (CID 131961768) is N-[3-(carbamoylamino)-4-fluorophenyl]thiomorpholine-4-carboxamide.
What is the SMILES notation for N-[3-(carbamoylamino)-4-fluorophenyl]thiomorpholine-4-carboxamide?
The canonical SMILES for N-[3-(carbamoylamino)-4-fluorophenyl]thiomorpholine-4-carboxamide is NC(=O)Nc1cc(NC(=O)N2CCSCC2)ccc1F.
What is the InChIKey of N-[3-(carbamoylamino)-4-fluorophenyl]thiomorpholine-4-carboxamide?
The InChIKey is ZQKBHKQFYJWMPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN4O2S/c13-9-2-1-8(7-10(9)16-11(14)18)15-12(19)17-3-5-20-6-4-17/h1-2,7H,3-6H2,(H,15,19)(H3,14,16,18).
What are the key properties of N-[3-(carbamoylamino)-4-fluorophenyl]thiomorpholine-4-carboxamide?
N-[3-(carbamoylamino)-4-fluorophenyl]thiomorpholine-4-carboxamide has a molecular weight of 298.34 g/mol, XLogP of 1.90, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(carbamoylamino)-4-fluorophenyl]thiomorpholine-4-carboxamide is sourced from PubChem (CID 131961768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).