(2R)-N-(4-phenyl-1,3-thiazol-2-yl)-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide

C19H15N5O2S2 — CID 7879197

IUPAC(2R)-N-(4-phenyl-1,3-thiazol-2-yl)-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide
SMILESC[C@@H](Sc1nnc(-c2cccnc2)o1)C(=O)Nc1nc(-c2ccccc2)cs1
InChIInChI=1S/C19H15N5O2S2/c1-12(28-19-24-23-17(26-19)14-8-5-9-20-10-14)16(25)22-18-21-15(11-27-18)13-6-3-2-4-7-13/h2-12H,1H3,(H,21,22,25)/t12-/m1/s1
InChIKeyTXQOZFURAPNSEZ-GFCCVEGCSA-N
MW409.50 g/mol
LogP4.37
Rot. Bonds6

About (2R)-N-(4-phenyl-1,3-thiazol-2-yl)-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide

(2R)-N-(4-phenyl-1,3-thiazol-2-yl)-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide (PubChem CID 7879197) has the molecular formula C19H15N5O2S2 and a molecular weight of 409.50 g/mol. Its IUPAC name is (2R)-N-(4-phenyl-1,3-thiazol-2-yl)-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide.

Molecular Properties

Compound Name(2R)-N-(4-phenyl-1,3-thiazol-2-yl)-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide
PubChem CID7879197
Molecular FormulaC19H15N5O2S2
Molecular Weight409.50 g/mol
Exact Mass409.07
IUPAC Name(2R)-N-(4-phenyl-1,3-thiazol-2-yl)-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide
SMILESC[C@@H](Sc1nnc(-c2cccnc2)o1)C(=O)Nc1nc(-c2ccccc2)cs1
InChIInChI=1S/C19H15N5O2S2/c1-12(28-19-24-23-17(26-19)14-8-5-9-20-10-14)16(25)22-18-21-15(11-27-18)13-6-3-2-4-7-13/h2-12H,1H3,(H,21,22,25)/t12-/m1/s1
InChIKeyTXQOZFURAPNSEZ-GFCCVEGCSA-N
XLogP4.37
TPSA93.80 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.50
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide
CID 78762433
(2R)-N-(4-propan-2-ylphenyl)-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide
CID 7879245
(2R)-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 41081124
(2S)-2-(4-fluorophenyl)sulfanyl-N-(4-phenyl-1,3-thiazol-2-yl)propanamide
CID 7228846
2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(4-phenyl-1,3-thiazol-2-yl)propanamide
CID 23772584
(2S)-N-(4-phenyl-1,3-thiazol-2-yl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)propanamide
CID 7784999
2-(2-methyl-6-phenylpyrimidin-4-yl)sulfanyl-N-(4-phenyl-1,3-thiazol-2-yl)propanamide
CID 46305082
2-imidazol-1-yl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanamide
CID 71685846
(2R)-2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-N-(4-phenyl-1,3-thiazol-2-yl)propanamide
CID 7977672
2-[[4-amino-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-phenyl-1,3-thiazol-2-yl)propanamide
CID 4013035
(2R)-N-carbamoyl-3-methyl-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]butanamide
CID 7879243
(2R)-2-[[4-amino-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-phenyl-1,3-thiazol-2-yl)propanamide
CID 51712268

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(4-phenyl-1,3-thiazol-2-yl)-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide?
The IUPAC name of (2R)-N-(4-phenyl-1,3-thiazol-2-yl)-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide (CID 7879197) is (2R)-N-(4-phenyl-1,3-thiazol-2-yl)-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide.
What is the SMILES notation for (2R)-N-(4-phenyl-1,3-thiazol-2-yl)-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide?
The canonical SMILES for (2R)-N-(4-phenyl-1,3-thiazol-2-yl)-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide is C[C@@H](Sc1nnc(-c2cccnc2)o1)C(=O)Nc1nc(-c2ccccc2)cs1.
What is the InChIKey of (2R)-N-(4-phenyl-1,3-thiazol-2-yl)-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide?
The InChIKey is TXQOZFURAPNSEZ-GFCCVEGCSA-N. The full InChI is InChI=1S/C19H15N5O2S2/c1-12(28-19-24-23-17(26-19)14-8-5-9-20-10-14)16(25)22-18-21-15(11-27-18)13-6-3-2-4-7-13/h2-12H,1H3,(H,21,22,25)/t12-/m1/s1.
What are the key properties of (2R)-N-(4-phenyl-1,3-thiazol-2-yl)-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide?
(2R)-N-(4-phenyl-1,3-thiazol-2-yl)-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide has a molecular weight of 409.50 g/mol, XLogP of 4.37, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(4-phenyl-1,3-thiazol-2-yl)-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide is sourced from PubChem (CID 7879197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).