(2R)-N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-1-sulfamoylazetidine-2-carboxamide

C14H15FN4O3S2 — CID 167327033

IUPAC(2R)-N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-1-sulfamoylazetidine-2-carboxamide
SMILESNS(=O)(=O)N1CC[C@@H]1C(=O)Nc1ncc(Cc2cccc(F)c2)s1
InChIInChI=1S/C14H15FN4O3S2/c15-10-3-1-2-9(6-10)7-11-8-17-14(23-11)18-13(20)12-4-5-19(12)24(16,21)22/h1-3,6,8,12H,4-5,7H2,(H2,16,21,22)(H,17,18,20)/t12-/m1/s1
InChIKeyZLCAMJFIKNPJOH-GFCCVEGCSA-N
MW370.43 g/mol
LogP1.09
Rot. Bonds5

About (2R)-N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-1-sulfamoylazetidine-2-carboxamide

(2R)-N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-1-sulfamoylazetidine-2-carboxamide (PubChem CID 167327033) has the molecular formula C14H15FN4O3S2 and a molecular weight of 370.43 g/mol. Its IUPAC name is (2R)-N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-1-sulfamoylazetidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-1-sulfamoylazetidine-2-carboxamide
PubChem CID167327033
Molecular FormulaC14H15FN4O3S2
Molecular Weight370.43 g/mol
Exact Mass370.06
IUPAC Name(2R)-N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-1-sulfamoylazetidine-2-carboxamide
SMILESNS(=O)(=O)N1CC[C@@H]1C(=O)Nc1ncc(Cc2cccc(F)c2)s1
InChIInChI=1S/C14H15FN4O3S2/c15-10-3-1-2-9(6-10)7-11-8-17-14(23-11)18-13(20)12-4-5-19(12)24(16,21)22/h1-3,6,8,12H,4-5,7H2,(H2,16,21,22)(H,17,18,20)/t12-/m1/s1
InChIKeyZLCAMJFIKNPJOH-GFCCVEGCSA-N
XLogP1.09
TPSA105.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2-hydroxycyclopentane-1-carboxamide
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2-(3-fluorophenyl)-N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]acetamide
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1-[[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]carbamoyl]piperidine-3-carboxylic acid
CID 122074687
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CID 55614121
(2R)-N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2-[methyl(sulfamoyl)amino]butanamide
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N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-1-(trifluoromethyl)cyclopropane-1-carboxamide
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CID 37266027
7-amino-N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]heptanamide
CID 119719234
N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-4-(methylsulfamoyl)benzamide
CID 37265916
N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-(2-hydroxyethoxy)piperidine-1-carboxamide
CID 126784524
2-amino-N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-methoxypropanamide;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of (2R)-N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-1-sulfamoylazetidine-2-carboxamide?
The IUPAC name of (2R)-N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-1-sulfamoylazetidine-2-carboxamide (CID 167327033) is (2R)-N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-1-sulfamoylazetidine-2-carboxamide.
What is the SMILES notation for (2R)-N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-1-sulfamoylazetidine-2-carboxamide?
The canonical SMILES for (2R)-N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-1-sulfamoylazetidine-2-carboxamide is NS(=O)(=O)N1CC[C@@H]1C(=O)Nc1ncc(Cc2cccc(F)c2)s1.
What is the InChIKey of (2R)-N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-1-sulfamoylazetidine-2-carboxamide?
The InChIKey is ZLCAMJFIKNPJOH-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H15FN4O3S2/c15-10-3-1-2-9(6-10)7-11-8-17-14(23-11)18-13(20)12-4-5-19(12)24(16,21)22/h1-3,6,8,12H,4-5,7H2,(H2,16,21,22)(H,17,18,20)/t12-/m1/s1.
What are the key properties of (2R)-N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-1-sulfamoylazetidine-2-carboxamide?
(2R)-N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-1-sulfamoylazetidine-2-carboxamide has a molecular weight of 370.43 g/mol, XLogP of 1.09, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-1-sulfamoylazetidine-2-carboxamide is sourced from PubChem (CID 167327033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).