N-[[5-[(3-fluorophenyl)methylcarbamoylamino]-1,2,4-thiadiazol-3-yl]methyl]-2-methoxy-N-methylpropanamide

C16H20FN5O3S — CID 66663019

IUPACN-[[5-[(3-fluorophenyl)methylcarbamoylamino]-1,2,4-thiadiazol-3-yl]methyl]-2-methoxy-N-methylpropanamide
SMILESCOC(C)C(=O)N(C)Cc1nsc(NC(=O)NCc2cccc(F)c2)n1
InChIInChI=1S/C16H20FN5O3S/c1-10(25-3)14(23)22(2)9-13-19-16(26-21-13)20-15(24)18-8-11-5-4-6-12(17)7-11/h4-7,10H,8-9H2,1-3H3,(H2,18,19,20,21,24)
InChIKeySAFWWVNEDSLIIO-UHFFFAOYSA-N
MW381.43 g/mol
LogP1.99
Rot. Bonds7

About N-[[5-[(3-fluorophenyl)methylcarbamoylamino]-1,2,4-thiadiazol-3-yl]methyl]-2-methoxy-N-methylpropanamide

N-[[5-[(3-fluorophenyl)methylcarbamoylamino]-1,2,4-thiadiazol-3-yl]methyl]-2-methoxy-N-methylpropanamide (PubChem CID 66663019) has the molecular formula C16H20FN5O3S and a molecular weight of 381.43 g/mol. Its IUPAC name is N-[[5-[(3-fluorophenyl)methylcarbamoylamino]-1,2,4-thiadiazol-3-yl]methyl]-2-methoxy-N-methylpropanamide.

Molecular Properties

Compound NameN-[[5-[(3-fluorophenyl)methylcarbamoylamino]-1,2,4-thiadiazol-3-yl]methyl]-2-methoxy-N-methylpropanamide
PubChem CID66663019
Molecular FormulaC16H20FN5O3S
Molecular Weight381.43 g/mol
Exact Mass381.13
IUPAC NameN-[[5-[(3-fluorophenyl)methylcarbamoylamino]-1,2,4-thiadiazol-3-yl]methyl]-2-methoxy-N-methylpropanamide
SMILESCOC(C)C(=O)N(C)Cc1nsc(NC(=O)NCc2cccc(F)c2)n1
InChIInChI=1S/C16H20FN5O3S/c1-10(25-3)14(23)22(2)9-13-19-16(26-21-13)20-15(24)18-8-11-5-4-6-12(17)7-11/h4-7,10H,8-9H2,1-3H3,(H2,18,19,20,21,24)
InChIKeySAFWWVNEDSLIIO-UHFFFAOYSA-N
XLogP1.99
TPSA96.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 51.99
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
(2R)-N-[[5-[(3-fluorophenyl)methylcarbamoylamino]-1,2,4-thiadiazol-3-yl]methyl]-N-methyloxolane-2-carboxamide
CID 66662835
3-[(2R)-3-[[5-fluoro-2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl-methylamino]-2-methoxy-3-oxopropyl]-N-[[2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N-methyl-5-(trifluoromethyl)furan-2-carboxamide
CID 130221926
N-[[2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N-methylcyclopentanecarboxamide
CID 87095190
3-chloro-N-[[2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-6-methoxy-N-methylpyridazine-4-carboxamide
CID 86661317
1-[4-(1-aminoethyl)-5-fluoro-1,3-thiazol-2-yl]-3-[(3-fluorophenyl)methyl]urea
CID 91213016
6-chloro-N-[[2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-3-methoxy-N-methylpyridazine-4-carboxamide
CID 86661325
thiadiazol-4-yl N-[[2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N-methylcarbamate
CID 130221863
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
N-[[2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N,3-dimethylpyridine-2-carboxamide
CID 25206797
1-[4-[(2,2-difluoroethylamino)methyl]-1,3-thiazol-2-yl]-3-[(3-fluorophenyl)methyl]urea
CID 86661301

Frequently Asked Questions

What is the IUPAC name of N-[[5-[(3-fluorophenyl)methylcarbamoylamino]-1,2,4-thiadiazol-3-yl]methyl]-2-methoxy-N-methylpropanamide?
The IUPAC name of N-[[5-[(3-fluorophenyl)methylcarbamoylamino]-1,2,4-thiadiazol-3-yl]methyl]-2-methoxy-N-methylpropanamide (CID 66663019) is N-[[5-[(3-fluorophenyl)methylcarbamoylamino]-1,2,4-thiadiazol-3-yl]methyl]-2-methoxy-N-methylpropanamide.
What is the SMILES notation for N-[[5-[(3-fluorophenyl)methylcarbamoylamino]-1,2,4-thiadiazol-3-yl]methyl]-2-methoxy-N-methylpropanamide?
The canonical SMILES for N-[[5-[(3-fluorophenyl)methylcarbamoylamino]-1,2,4-thiadiazol-3-yl]methyl]-2-methoxy-N-methylpropanamide is COC(C)C(=O)N(C)Cc1nsc(NC(=O)NCc2cccc(F)c2)n1.
What is the InChIKey of N-[[5-[(3-fluorophenyl)methylcarbamoylamino]-1,2,4-thiadiazol-3-yl]methyl]-2-methoxy-N-methylpropanamide?
The InChIKey is SAFWWVNEDSLIIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN5O3S/c1-10(25-3)14(23)22(2)9-13-19-16(26-21-13)20-15(24)18-8-11-5-4-6-12(17)7-11/h4-7,10H,8-9H2,1-3H3,(H2,18,19,20,21,24).
What are the key properties of N-[[5-[(3-fluorophenyl)methylcarbamoylamino]-1,2,4-thiadiazol-3-yl]methyl]-2-methoxy-N-methylpropanamide?
N-[[5-[(3-fluorophenyl)methylcarbamoylamino]-1,2,4-thiadiazol-3-yl]methyl]-2-methoxy-N-methylpropanamide has a molecular weight of 381.43 g/mol, XLogP of 1.99, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(3-fluorophenyl)methylcarbamoylamino]-1,2,4-thiadiazol-3-yl]methyl]-2-methoxy-N-methylpropanamide is sourced from PubChem (CID 66663019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).