2-[(4-fluorophenyl)carbamoylamino]-N-[[(2R)-oxolan-2-yl]methyl]-1,3-thiazole-4-carboxamide

C16H17FN4O3S — CID 41015661

IUPAC2-[(4-fluorophenyl)carbamoylamino]-N-[[(2R)-oxolan-2-yl]methyl]-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1ccc(F)cc1)Nc1nc(C(=O)NC[C@H]2CCCO2)cs1
InChIInChI=1S/C16H17FN4O3S/c17-10-3-5-11(6-4-10)19-15(23)21-16-20-13(9-25-16)14(22)18-8-12-2-1-7-24-12/h3-6,9,12H,1-2,7-8H2,(H,18,22)(H2,19,20,21,23)/t12-/m1/s1
InChIKeyAWMBKKQHQGRBQM-GFCCVEGCSA-N
MW364.40 g/mol
LogP2.84
Rot. Bonds5

About 2-[(4-fluorophenyl)carbamoylamino]-N-[[(2R)-oxolan-2-yl]methyl]-1,3-thiazole-4-carboxamide

2-[(4-fluorophenyl)carbamoylamino]-N-[[(2R)-oxolan-2-yl]methyl]-1,3-thiazole-4-carboxamide (PubChem CID 41015661) has the molecular formula C16H17FN4O3S and a molecular weight of 364.40 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)carbamoylamino]-N-[[(2R)-oxolan-2-yl]methyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[(4-fluorophenyl)carbamoylamino]-N-[[(2R)-oxolan-2-yl]methyl]-1,3-thiazole-4-carboxamide
PubChem CID41015661
Molecular FormulaC16H17FN4O3S
Molecular Weight364.40 g/mol
Exact Mass364.10
IUPAC Name2-[(4-fluorophenyl)carbamoylamino]-N-[[(2R)-oxolan-2-yl]methyl]-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1ccc(F)cc1)Nc1nc(C(=O)NC[C@H]2CCCO2)cs1
InChIInChI=1S/C16H17FN4O3S/c17-10-3-5-11(6-4-10)19-15(23)21-16-20-13(9-25-16)14(22)18-8-12-2-1-7-24-12/h3-6,9,12H,1-2,7-8H2,(H,18,22)(H2,19,20,21,23)/t12-/m1/s1
InChIKeyAWMBKKQHQGRBQM-GFCCVEGCSA-N
XLogP2.84
TPSA92.35 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.40
LogP ≤ 52.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[(4-fluorophenyl)carbamoylamino]-N-[[(2R)-oxolan-2-yl]methyl]-1,3-thiazole-4-carboxamide with MolForge

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Related Compounds

2-[(4-fluorophenyl)carbamoylamino]-N-[[(2S)-oxolan-2-yl]methyl]-1,3-thiazole-4-carboxamide
CID 41015660
N-[[(2R)-oxolan-2-yl]methyl]-2-[4-(trifluoromethoxy)anilino]-1,3-thiazole-4-carboxamide
CID 40981814
2-[(4-fluorophenoxy)methyl]-N-[[(2R)-oxolan-2-yl]methyl]-1,3-thiazole-4-carboxamide
CID 36701839
2-[[5-[(4-fluorophenyl)carbamoylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 7385232
4-fluoro-N-(oxolan-2-ylmethyl)benzamide
CID 531952
5-(4-fluorophenyl)-N-[[(2R)-oxolan-2-yl]methyl]-1,2-oxazole-3-carboxamide
CID 99599447
6-(4-fluoroanilino)-N-(oxolan-2-ylmethyl)pyridazine-3-carboxamide
CID 109115068
N-[[(2R)-oxolan-2-yl]methyl]-4-(phenylcarbamoylamino)benzamide
CID 42427521
4-N-(4-fluorophenyl)-1-N-(oxolan-2-ylmethyl)cyclohexane-1,4-dicarboxamide
CID 109146968
2-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(oxolan-2-ylmethyl)acetamide
CID 18567713
2-[4-[(3,5-difluorophenyl)methoxy]phenyl]-N-(oxolan-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 46065976
2,5-difluoro-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]benzamide
CID 134050539

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)carbamoylamino]-N-[[(2R)-oxolan-2-yl]methyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[(4-fluorophenyl)carbamoylamino]-N-[[(2R)-oxolan-2-yl]methyl]-1,3-thiazole-4-carboxamide (CID 41015661) is 2-[(4-fluorophenyl)carbamoylamino]-N-[[(2R)-oxolan-2-yl]methyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[(4-fluorophenyl)carbamoylamino]-N-[[(2R)-oxolan-2-yl]methyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[(4-fluorophenyl)carbamoylamino]-N-[[(2R)-oxolan-2-yl]methyl]-1,3-thiazole-4-carboxamide is O=C(Nc1ccc(F)cc1)Nc1nc(C(=O)NC[C@H]2CCCO2)cs1.
What is the InChIKey of 2-[(4-fluorophenyl)carbamoylamino]-N-[[(2R)-oxolan-2-yl]methyl]-1,3-thiazole-4-carboxamide?
The InChIKey is AWMBKKQHQGRBQM-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H17FN4O3S/c17-10-3-5-11(6-4-10)19-15(23)21-16-20-13(9-25-16)14(22)18-8-12-2-1-7-24-12/h3-6,9,12H,1-2,7-8H2,(H,18,22)(H2,19,20,21,23)/t12-/m1/s1.
What are the key properties of 2-[(4-fluorophenyl)carbamoylamino]-N-[[(2R)-oxolan-2-yl]methyl]-1,3-thiazole-4-carboxamide?
2-[(4-fluorophenyl)carbamoylamino]-N-[[(2R)-oxolan-2-yl]methyl]-1,3-thiazole-4-carboxamide has a molecular weight of 364.40 g/mol, XLogP of 2.84, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)carbamoylamino]-N-[[(2R)-oxolan-2-yl]methyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 41015661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).