N-cyclopropyl-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-1,2-thiazole-5-carboxamide

C15H15FN2O2S — CID 138016901

IUPACN-cyclopropyl-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-1,2-thiazole-5-carboxamide
SMILESO=C(c1ccns1)N(CC(O)c1ccc(F)cc1)C1CC1
InChIInChI=1S/C15H15FN2O2S/c16-11-3-1-10(2-4-11)13(19)9-18(12-5-6-12)15(20)14-7-8-17-21-14/h1-4,7-8,12-13,19H,5-6,9H2
InChIKeyHTDLHUZZBKSRJZ-UHFFFAOYSA-N
MW306.36 g/mol
LogP2.62
Rot. Bonds5

About N-cyclopropyl-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-1,2-thiazole-5-carboxamide

N-cyclopropyl-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-1,2-thiazole-5-carboxamide (PubChem CID 138016901) has the molecular formula C15H15FN2O2S and a molecular weight of 306.36 g/mol. Its IUPAC name is N-cyclopropyl-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-1,2-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-1,2-thiazole-5-carboxamide
PubChem CID138016901
Molecular FormulaC15H15FN2O2S
Molecular Weight306.36 g/mol
Exact Mass306.08
IUPAC NameN-cyclopropyl-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-1,2-thiazole-5-carboxamide
SMILESO=C(c1ccns1)N(CC(O)c1ccc(F)cc1)C1CC1
InChIInChI=1S/C15H15FN2O2S/c16-11-3-1-10(2-4-11)13(19)9-18(12-5-6-12)15(20)14-7-8-17-21-14/h1-4,7-8,12-13,19H,5-6,9H2
InChIKeyHTDLHUZZBKSRJZ-UHFFFAOYSA-N
XLogP2.62
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclopropyl-1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-(pyridin-2-ylmethyl)urea
CID 111793378
1-cyclopropyl-3-(2-cyclopropylethyl)-1-[2-(4-fluorophenyl)-2-hydroxyethyl]urea
CID 111795159
1-cyclopropyl-1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-[(2-fluorophenyl)methyl]urea
CID 111722540
1-cyclopropyl-1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-[(2-methyl-1,2,4-triazol-3-yl)methyl]urea
CID 111795178
1-cyclopropyl-1-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 95772322
N-cyclopropyl-N-[2-(4-fluorophenyl)-2-hydroxyethyl]propane-1-sulfonamide
CID 75399763
2-[cyclopropyl-[2-(4-fluorophenyl)-2-hydroxyethyl]amino]-N-(1,3-thiazol-2-yl)acetamide
CID 111462226
2-chloro-N-cyclopropyl-N-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]prop-2-ene-1-sulfonamide
CID 99858938
2-[cyclopropyl(prop-2-enyl)amino]-1-(4-fluorophenyl)ethanol
CID 71999867
N-cyclopentyl-2-[cyclopropyl-[2-(4-fluorophenyl)-2-hydroxyethyl]amino]acetamide
CID 111432084
2-[cyclopropyl-[[5-(dimethylamino)-1,2,4-thiadiazol-3-yl]methyl]amino]-1-(4-fluorophenyl)ethanol
CID 71852847
(1R)-2-[cyclopropyl(thieno[3,2-d]pyrimidin-4-yl)amino]-1-(4-fluorophenyl)ethanol
CID 96536411

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-1,2-thiazole-5-carboxamide?
The IUPAC name of N-cyclopropyl-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-1,2-thiazole-5-carboxamide (CID 138016901) is N-cyclopropyl-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-1,2-thiazole-5-carboxamide.
What is the SMILES notation for N-cyclopropyl-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-1,2-thiazole-5-carboxamide?
The canonical SMILES for N-cyclopropyl-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-1,2-thiazole-5-carboxamide is O=C(c1ccns1)N(CC(O)c1ccc(F)cc1)C1CC1.
What is the InChIKey of N-cyclopropyl-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-1,2-thiazole-5-carboxamide?
The InChIKey is HTDLHUZZBKSRJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O2S/c16-11-3-1-10(2-4-11)13(19)9-18(12-5-6-12)15(20)14-7-8-17-21-14/h1-4,7-8,12-13,19H,5-6,9H2.
What are the key properties of N-cyclopropyl-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-1,2-thiazole-5-carboxamide?
N-cyclopropyl-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-1,2-thiazole-5-carboxamide has a molecular weight of 306.36 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-1,2-thiazole-5-carboxamide is sourced from PubChem (CID 138016901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).