N-cyclopropyl-N'-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]oxamide

C14H12FN3O2S — CID 71889087

IUPACN-cyclopropyl-N'-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]oxamide
SMILESO=C(Nc1nc(-c2ccccc2F)cs1)C(=O)NC1CC1
InChIInChI=1S/C14H12FN3O2S/c15-10-4-2-1-3-9(10)11-7-21-14(17-11)18-13(20)12(19)16-8-5-6-8/h1-4,7-8H,5-6H2,(H,16,19)(H,17,18,20)
InChIKeyLZJOXVKCTUBYQV-UHFFFAOYSA-N
MW305.33 g/mol
LogP2.17
Rot. Bonds3

About N-cyclopropyl-N'-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]oxamide

N-cyclopropyl-N'-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]oxamide (PubChem CID 71889087) has the molecular formula C14H12FN3O2S and a molecular weight of 305.33 g/mol. Its IUPAC name is N-cyclopropyl-N'-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]oxamide.

Molecular Properties

Compound NameN-cyclopropyl-N'-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]oxamide
PubChem CID71889087
Molecular FormulaC14H12FN3O2S
Molecular Weight305.33 g/mol
Exact Mass305.06
IUPAC NameN-cyclopropyl-N'-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]oxamide
SMILESO=C(Nc1nc(-c2ccccc2F)cs1)C(=O)NC1CC1
InChIInChI=1S/C14H12FN3O2S/c15-10-4-2-1-3-9(10)11-7-21-14(17-11)18-13(20)12(19)16-8-5-6-8/h1-4,7-8H,5-6H2,(H,16,19)(H,17,18,20)
InChIKeyLZJOXVKCTUBYQV-UHFFFAOYSA-N
XLogP2.17
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

methyl 4-[[4-(2-fluorophenyl)-1,3-thiazol-2-yl]carbamoyl]benzoate
CID 60551769
N-[4-(1H-benzimidazol-2-yl)cyclohexyl]-N'-(4-phenyl-1,3-thiazol-2-yl)oxamide
CID 167887271
3,5-diacetamido-N-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]benzamide
CID 60551770
3-acetamido-N-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]-4-methylbenzamide
CID 87043271
5-ethyl-N-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]-1,2-oxazole-3-carboxamide
CID 46969057
N-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]-3-(2-oxo-1-pyridinyl)propanamide
CID 87043269
N-cycloheptyl-N'-(4-methyl-1,3-thiazol-2-yl)oxamide
CID 44997302
[4-(2-fluorophenyl)-1,3-thiazol-2-yl]-phenylmethanone
CID 63102619
2-[(3aS,6aS)-4,6-dimethyl-2,5-dioxo-3a,6a-dihydro-1H-imidazo[4,5-d]imidazol-3-yl]-N-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]acetamide
CID 51598785
N-cyclopentyl-3-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]propanamide
CID 110332925
N-(1,3-diazinan-2-yl)-4-(2-fluorophenyl)-1,3-thiazol-2-amine;ethane
CID 145104729
1-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]piperidine-4-carboxylic acid
CID 122047336

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N'-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]oxamide?
The IUPAC name of N-cyclopropyl-N'-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]oxamide (CID 71889087) is N-cyclopropyl-N'-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]oxamide.
What is the SMILES notation for N-cyclopropyl-N'-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]oxamide?
The canonical SMILES for N-cyclopropyl-N'-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]oxamide is O=C(Nc1nc(-c2ccccc2F)cs1)C(=O)NC1CC1.
What is the InChIKey of N-cyclopropyl-N'-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]oxamide?
The InChIKey is LZJOXVKCTUBYQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN3O2S/c15-10-4-2-1-3-9(10)11-7-21-14(17-11)18-13(20)12(19)16-8-5-6-8/h1-4,7-8H,5-6H2,(H,16,19)(H,17,18,20).
What are the key properties of N-cyclopropyl-N'-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]oxamide?
N-cyclopropyl-N'-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]oxamide has a molecular weight of 305.33 g/mol, XLogP of 2.17, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N'-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]oxamide is sourced from PubChem (CID 71889087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).