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

C15H17F2N3OS3 — CID 8934935

IUPAC(2R)-N-(2,6-difluorophenyl)-2-[[5-(2-methylpropylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
SMILESCC(C)CSc1nnc(S[C@H](C)C(=O)Nc2c(F)cccc2F)s1
InChIInChI=1S/C15H17F2N3OS3/c1-8(2)7-22-14-19-20-15(24-14)23-9(3)13(21)18-12-10(16)5-4-6-11(12)17/h4-6,8-9H,7H2,1-3H3,(H,18,21)/t9-/m1/s1
InChIKeyRXJLYQXNCNAWKE-SECBINFHSA-N
MW389.52 g/mol
LogP4.68
Rot. Bonds7

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

(2R)-N-(2,6-difluorophenyl)-2-[[5-(2-methylpropylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide (PubChem CID 8934935) has the molecular formula C15H17F2N3OS3 and a molecular weight of 389.52 g/mol. Its IUPAC name is (2R)-N-(2,6-difluorophenyl)-2-[[5-(2-methylpropylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide.

Molecular Properties

Compound Name(2R)-N-(2,6-difluorophenyl)-2-[[5-(2-methylpropylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
PubChem CID8934935
Molecular FormulaC15H17F2N3OS3
Molecular Weight389.52 g/mol
Exact Mass389.05
IUPAC Name(2R)-N-(2,6-difluorophenyl)-2-[[5-(2-methylpropylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
SMILESCC(C)CSc1nnc(S[C@H](C)C(=O)Nc2c(F)cccc2F)s1
InChIInChI=1S/C15H17F2N3OS3/c1-8(2)7-22-14-19-20-15(24-14)23-9(3)13(21)18-12-10(16)5-4-6-11(12)17/h4-6,8-9H,7H2,1-3H3,(H,18,21)/t9-/m1/s1
InChIKeyRXJLYQXNCNAWKE-SECBINFHSA-N
XLogP4.68
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.52
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-N-(3-chloro-2-methylphenyl)-2-[[5-(2-methylpropylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
CID 8934884
(2S)-N-(2,6-difluorophenyl)-2-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
CID 8993497
(2R)-N-[(4-fluorophenyl)methyl]-2-[[5-(2-methylpropylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
CID 8934985
(2S)-N-(3-chloro-4-cyanophenyl)-2-[[5-(2-methylpropylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
CID 8935034
2-[[5-(2-amino-2-oxoethyl)sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(4-chloro-2-fluorophenyl)propanamide
CID 55421372
(2R)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2,6-diethylphenyl)propanamide
CID 9160750
N-(3-chloro-2-methylphenyl)-2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide
CID 84877731
(2S)-N-(2,5-difluorophenyl)-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide
CID 8888578
(2R)-2-[[5-(2-amino-2-oxoethyl)sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-N-phenylpropanamide
CID 7883538
(2R)-N-(4-chlorophenyl)-2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide
CID 7692366
(2S)-N-[2-(difluoromethoxy)phenyl]-2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide
CID 8940019
(2R)-2-[[5-(benzylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2-fluorophenyl)propanamide
CID 7855252

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2,6-difluorophenyl)-2-[[5-(2-methylpropylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide?
The IUPAC name of (2R)-N-(2,6-difluorophenyl)-2-[[5-(2-methylpropylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide (CID 8934935) is (2R)-N-(2,6-difluorophenyl)-2-[[5-(2-methylpropylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide.
What is the SMILES notation for (2R)-N-(2,6-difluorophenyl)-2-[[5-(2-methylpropylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide?
The canonical SMILES for (2R)-N-(2,6-difluorophenyl)-2-[[5-(2-methylpropylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide is CC(C)CSc1nnc(S[C@H](C)C(=O)Nc2c(F)cccc2F)s1.
What is the InChIKey of (2R)-N-(2,6-difluorophenyl)-2-[[5-(2-methylpropylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide?
The InChIKey is RXJLYQXNCNAWKE-SECBINFHSA-N. The full InChI is InChI=1S/C15H17F2N3OS3/c1-8(2)7-22-14-19-20-15(24-14)23-9(3)13(21)18-12-10(16)5-4-6-11(12)17/h4-6,8-9H,7H2,1-3H3,(H,18,21)/t9-/m1/s1.
What are the key properties of (2R)-N-(2,6-difluorophenyl)-2-[[5-(2-methylpropylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide?
(2R)-N-(2,6-difluorophenyl)-2-[[5-(2-methylpropylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide has a molecular weight of 389.52 g/mol, XLogP of 4.68, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2,6-difluorophenyl)-2-[[5-(2-methylpropylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide is sourced from PubChem (CID 8934935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).