(2R)-N-[[5-[(3-fluorophenyl)methylcarbamoylamino]-1,2,4-thiadiazol-3-yl]methyl]-N-methyloxolane-2-carboxamide

C17H20FN5O3S — CID 66662835

IUPAC(2R)-N-[[5-[(3-fluorophenyl)methylcarbamoylamino]-1,2,4-thiadiazol-3-yl]methyl]-N-methyloxolane-2-carboxamide
SMILESCN(Cc1nsc(NC(=O)NCc2cccc(F)c2)n1)C(=O)[C@H]1CCCO1
InChIInChI=1S/C17H20FN5O3S/c1-23(15(24)13-6-3-7-26-13)10-14-20-17(27-22-14)21-16(25)19-9-11-4-2-5-12(18)8-11/h2,4-5,8,13H,3,6-7,9-10H2,1H3,(H2,19,20,21,22,25)/t13-/m1/s1
InChIKeyMFBWQRZCBRVNSP-CYBMUJFWSA-N
MW393.44 g/mol
LogP2.14
Rot. Bonds6

About (2R)-N-[[5-[(3-fluorophenyl)methylcarbamoylamino]-1,2,4-thiadiazol-3-yl]methyl]-N-methyloxolane-2-carboxamide

(2R)-N-[[5-[(3-fluorophenyl)methylcarbamoylamino]-1,2,4-thiadiazol-3-yl]methyl]-N-methyloxolane-2-carboxamide (PubChem CID 66662835) has the molecular formula C17H20FN5O3S and a molecular weight of 393.44 g/mol. Its IUPAC name is (2R)-N-[[5-[(3-fluorophenyl)methylcarbamoylamino]-1,2,4-thiadiazol-3-yl]methyl]-N-methyloxolane-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[[5-[(3-fluorophenyl)methylcarbamoylamino]-1,2,4-thiadiazol-3-yl]methyl]-N-methyloxolane-2-carboxamide
PubChem CID66662835
Molecular FormulaC17H20FN5O3S
Molecular Weight393.44 g/mol
Exact Mass393.13
IUPAC Name(2R)-N-[[5-[(3-fluorophenyl)methylcarbamoylamino]-1,2,4-thiadiazol-3-yl]methyl]-N-methyloxolane-2-carboxamide
SMILESCN(Cc1nsc(NC(=O)NCc2cccc(F)c2)n1)C(=O)[C@H]1CCCO1
InChIInChI=1S/C17H20FN5O3S/c1-23(15(24)13-6-3-7-26-13)10-14-20-17(27-22-14)21-16(25)19-9-11-4-2-5-12(18)8-11/h2,4-5,8,13H,3,6-7,9-10H2,1H3,(H2,19,20,21,22,25)/t13-/m1/s1
InChIKeyMFBWQRZCBRVNSP-CYBMUJFWSA-N
XLogP2.14
TPSA96.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.44
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-N-[[5-[(3-fluorophenyl)methylcarbamoylamino]-1,2,4-thiadiazol-3-yl]methyl]-2-methoxy-N-methylpropanamide
CID 66663018
N-[[5-[(3-fluorophenyl)methylcarbamoylamino]-1,2,4-thiadiazol-3-yl]methyl]-2-methoxy-N-methylpropanamide
CID 66663019
N-[[2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N-methylcyclopentanecarboxamide
CID 87095190
[(2R)-oxolan-2-yl] N-[[5-fluoro-2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N-methylcarbamate
CID 130221833
(2R)-N-[[2-[(5-fluorothiophen-2-yl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N-methyloxolane-2-carboxamide
CID 87095417
N-[[2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N-methylpyrrolidine-2-carboxamide
CID 87095634
N-[2-cyano-2-[2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]ethyl]oxolane-2-carboxamide
CID 90818494
N-[[2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-5-(methoxymethyl)oxolane-2-carboxamide
CID 91498125
1-[4-(cyclopentylsulfonylmethyl)-1,3-thiazol-2-yl]-3-[(3-fluorophenyl)methyl]urea
CID 25207114
N-[[2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-3-(methoxymethyl)oxolane-2-carboxamide
CID 91039775
N-[[2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N,3-dimethylpyrazine-2-carboxamide
CID 25206964
N-[[2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N-methylpyrazine-2-carboxamide
CID 25206308

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[[5-[(3-fluorophenyl)methylcarbamoylamino]-1,2,4-thiadiazol-3-yl]methyl]-N-methyloxolane-2-carboxamide?
The IUPAC name of (2R)-N-[[5-[(3-fluorophenyl)methylcarbamoylamino]-1,2,4-thiadiazol-3-yl]methyl]-N-methyloxolane-2-carboxamide (CID 66662835) is (2R)-N-[[5-[(3-fluorophenyl)methylcarbamoylamino]-1,2,4-thiadiazol-3-yl]methyl]-N-methyloxolane-2-carboxamide.
What is the SMILES notation for (2R)-N-[[5-[(3-fluorophenyl)methylcarbamoylamino]-1,2,4-thiadiazol-3-yl]methyl]-N-methyloxolane-2-carboxamide?
The canonical SMILES for (2R)-N-[[5-[(3-fluorophenyl)methylcarbamoylamino]-1,2,4-thiadiazol-3-yl]methyl]-N-methyloxolane-2-carboxamide is CN(Cc1nsc(NC(=O)NCc2cccc(F)c2)n1)C(=O)[C@H]1CCCO1.
What is the InChIKey of (2R)-N-[[5-[(3-fluorophenyl)methylcarbamoylamino]-1,2,4-thiadiazol-3-yl]methyl]-N-methyloxolane-2-carboxamide?
The InChIKey is MFBWQRZCBRVNSP-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H20FN5O3S/c1-23(15(24)13-6-3-7-26-13)10-14-20-17(27-22-14)21-16(25)19-9-11-4-2-5-12(18)8-11/h2,4-5,8,13H,3,6-7,9-10H2,1H3,(H2,19,20,21,22,25)/t13-/m1/s1.
What are the key properties of (2R)-N-[[5-[(3-fluorophenyl)methylcarbamoylamino]-1,2,4-thiadiazol-3-yl]methyl]-N-methyloxolane-2-carboxamide?
(2R)-N-[[5-[(3-fluorophenyl)methylcarbamoylamino]-1,2,4-thiadiazol-3-yl]methyl]-N-methyloxolane-2-carboxamide has a molecular weight of 393.44 g/mol, XLogP of 2.14, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[[5-[(3-fluorophenyl)methylcarbamoylamino]-1,2,4-thiadiazol-3-yl]methyl]-N-methyloxolane-2-carboxamide is sourced from PubChem (CID 66662835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).