(2S)-N-(2,6-difluorophenyl)-2-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide

C14H16F2N4OS2 — CID 8993497

IUPAC(2S)-N-(2,6-difluorophenyl)-2-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
SMILESCCCNc1nnc(S[C@@H](C)C(=O)Nc2c(F)cccc2F)s1
InChIInChI=1S/C14H16F2N4OS2/c1-3-7-17-13-19-20-14(23-13)22-8(2)12(21)18-11-9(15)5-4-6-10(11)16/h4-6,8H,3,7H2,1-2H3,(H,17,19)(H,18,21)/t8-/m0/s1
InChIKeySEMKHQBVMQPKPX-QMMMGPOBSA-N
MW358.44 g/mol
LogP3.76
Rot. Bonds7

About (2S)-N-(2,6-difluorophenyl)-2-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide

(2S)-N-(2,6-difluorophenyl)-2-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide (PubChem CID 8993497) has the molecular formula C14H16F2N4OS2 and a molecular weight of 358.44 g/mol. Its IUPAC name is (2S)-N-(2,6-difluorophenyl)-2-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide.

Molecular Properties

Compound Name(2S)-N-(2,6-difluorophenyl)-2-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
PubChem CID8993497
Molecular FormulaC14H16F2N4OS2
Molecular Weight358.44 g/mol
Exact Mass358.07
IUPAC Name(2S)-N-(2,6-difluorophenyl)-2-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
SMILESCCCNc1nnc(S[C@@H](C)C(=O)Nc2c(F)cccc2F)s1
InChIInChI=1S/C14H16F2N4OS2/c1-3-7-17-13-19-20-14(23-13)22-8(2)12(21)18-11-9(15)5-4-6-10(11)16/h4-6,8H,3,7H2,1-2H3,(H,17,19)(H,18,21)/t8-/m0/s1
InChIKeySEMKHQBVMQPKPX-QMMMGPOBSA-N
XLogP3.76
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-N-phenyl-2-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
CID 8911091
N-(2,3-dimethylphenyl)-2-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
CID 86919102
(2R)-N-(3-chloro-2-methylphenyl)-2-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
CID 8993456
(2R)-N-(2,6-difluorophenyl)-2-[[5-(2-methylpropylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
CID 8934935
(2S)-N-[2-(difluoromethoxy)phenyl]-2-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
CID 8993580
(2R)-N-(2,5-dichlorophenyl)-2-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
CID 8910854
(2S)-N-(4-methoxyphenyl)-2-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
CID 8993441
(2S)-2-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 8910925
N-(2-propan-2-ylpyrazol-3-yl)-2-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
CID 46826499
N'-[(2S)-2-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanoyl]benzohydrazide
CID 8911593
(2S)-2-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
CID 9378718
N-(2-phenylpropyl)-2-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
CID 51210035

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2,6-difluorophenyl)-2-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide?
The IUPAC name of (2S)-N-(2,6-difluorophenyl)-2-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide (CID 8993497) is (2S)-N-(2,6-difluorophenyl)-2-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide.
What is the SMILES notation for (2S)-N-(2,6-difluorophenyl)-2-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide?
The canonical SMILES for (2S)-N-(2,6-difluorophenyl)-2-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide is CCCNc1nnc(S[C@@H](C)C(=O)Nc2c(F)cccc2F)s1.
What is the InChIKey of (2S)-N-(2,6-difluorophenyl)-2-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide?
The InChIKey is SEMKHQBVMQPKPX-QMMMGPOBSA-N. The full InChI is InChI=1S/C14H16F2N4OS2/c1-3-7-17-13-19-20-14(23-13)22-8(2)12(21)18-11-9(15)5-4-6-10(11)16/h4-6,8H,3,7H2,1-2H3,(H,17,19)(H,18,21)/t8-/m0/s1.
What are the key properties of (2S)-N-(2,6-difluorophenyl)-2-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide?
(2S)-N-(2,6-difluorophenyl)-2-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide has a molecular weight of 358.44 g/mol, XLogP of 3.76, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2,6-difluorophenyl)-2-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide is sourced from PubChem (CID 8993497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).