N-[1-[[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]amino]-2-methylpropan-2-yl]methanesulfonamide

C14H19FN4O2S2 — CID 133457944

IUPACN-[1-[[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]amino]-2-methylpropan-2-yl]methanesulfonamide
SMILESCC(C)(CNc1nnc(Cc2ccc(F)cc2)s1)NS(C)(=O)=O
InChIInChI=1S/C14H19FN4O2S2/c1-14(2,19-23(3,20)21)9-16-13-18-17-12(22-13)8-10-4-6-11(15)7-5-10/h4-7,19H,8-9H2,1-3H3,(H,16,18)
InChIKeyYVGPNBFZGPXUDB-UHFFFAOYSA-N
MW358.46 g/mol
LogP2.01
Rot. Bonds7

About N-[1-[[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]amino]-2-methylpropan-2-yl]methanesulfonamide

N-[1-[[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]amino]-2-methylpropan-2-yl]methanesulfonamide (PubChem CID 133457944) has the molecular formula C14H19FN4O2S2 and a molecular weight of 358.46 g/mol. Its IUPAC name is N-[1-[[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]amino]-2-methylpropan-2-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-[[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]amino]-2-methylpropan-2-yl]methanesulfonamide
PubChem CID133457944
Molecular FormulaC14H19FN4O2S2
Molecular Weight358.46 g/mol
Exact Mass358.09
IUPAC NameN-[1-[[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]amino]-2-methylpropan-2-yl]methanesulfonamide
SMILESCC(C)(CNc1nnc(Cc2ccc(F)cc2)s1)NS(C)(=O)=O
InChIInChI=1S/C14H19FN4O2S2/c1-14(2,19-23(3,20)21)9-16-13-18-17-12(22-13)8-10-4-6-11(15)7-5-10/h4-7,19H,8-9H2,1-3H3,(H,16,18)
InChIKeyYVGPNBFZGPXUDB-UHFFFAOYSA-N
XLogP2.01
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-[[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]amino]-2,2-dimethylpropanamide
CID 133456342
2-(2,4-difluorophenyl)-1-[[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]amino]propan-2-ol
CID 133458145
1-[[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]amino]propan-2-ol
CID 133465775
2-[[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]amino]-N-propan-2-ylacetamide
CID 133466123
5-[(4-fluorophenyl)methyl]-N-(3-methoxypropyl)-1,3,4-thiadiazol-2-amine
CID 133465791
N-[2-[[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]amino]ethyl]-4-methylbenzamide
CID 133457957
N-[5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]methanesulfonamide
CID 2928745
tert-butyl N-[4-[[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]amino]cyclohexyl]carbamate
CID 133458417
1-[4-[2-[[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]amino]ethyl]piperazin-1-yl]ethanone
CID 133456144
3-[[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]amino]-N,2,2-trimethylpropanamide
CID 133494986
N-[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]pentanamide
CID 3120553
5-[(4-fluorophenyl)methyl]-N-[2-(4-methylpiperazin-1-yl)propyl]-1,3,4-thiadiazol-2-amine
CID 133457119

Frequently Asked Questions

What is the IUPAC name of N-[1-[[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]amino]-2-methylpropan-2-yl]methanesulfonamide?
The IUPAC name of N-[1-[[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]amino]-2-methylpropan-2-yl]methanesulfonamide (CID 133457944) is N-[1-[[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]amino]-2-methylpropan-2-yl]methanesulfonamide.
What is the SMILES notation for N-[1-[[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]amino]-2-methylpropan-2-yl]methanesulfonamide?
The canonical SMILES for N-[1-[[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]amino]-2-methylpropan-2-yl]methanesulfonamide is CC(C)(CNc1nnc(Cc2ccc(F)cc2)s1)NS(C)(=O)=O.
What is the InChIKey of N-[1-[[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]amino]-2-methylpropan-2-yl]methanesulfonamide?
The InChIKey is YVGPNBFZGPXUDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN4O2S2/c1-14(2,19-23(3,20)21)9-16-13-18-17-12(22-13)8-10-4-6-11(15)7-5-10/h4-7,19H,8-9H2,1-3H3,(H,16,18).
What are the key properties of N-[1-[[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]amino]-2-methylpropan-2-yl]methanesulfonamide?
N-[1-[[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]amino]-2-methylpropan-2-yl]methanesulfonamide has a molecular weight of 358.46 g/mol, XLogP of 2.01, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]amino]-2-methylpropan-2-yl]methanesulfonamide is sourced from PubChem (CID 133457944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).