N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[(2R)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]propanamide

C16H21N5O2S — CID 124756586

IUPACN-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[(2R)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]propanamide
SMILESCc1cc([C@H]2CCCN2CCC(=O)Nc2nnc(C3CC3)s2)on1
InChIInChI=1S/C16H21N5O2S/c1-10-9-13(23-20-10)12-3-2-7-21(12)8-6-14(22)17-16-19-18-15(24-16)11-4-5-11/h9,11-12H,2-8H2,1H3,(H,17,19,22)/t12-/m1/s1
InChIKeyTXTDOUOJHUWJRV-GFCCVEGCSA-N
MW347.44 g/mol
LogP2.88
Rot. Bonds6

About N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[(2R)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]propanamide

N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[(2R)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]propanamide (PubChem CID 124756586) has the molecular formula C16H21N5O2S and a molecular weight of 347.44 g/mol. Its IUPAC name is N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[(2R)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]propanamide.

Molecular Properties

Compound NameN-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[(2R)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]propanamide
PubChem CID124756586
Molecular FormulaC16H21N5O2S
Molecular Weight347.44 g/mol
Exact Mass347.14
IUPAC NameN-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[(2R)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]propanamide
SMILESCc1cc([C@H]2CCCN2CCC(=O)Nc2nnc(C3CC3)s2)on1
InChIInChI=1S/C16H21N5O2S/c1-10-9-13(23-20-10)12-3-2-7-21(12)8-6-14(22)17-16-19-18-15(24-16)11-4-5-11/h9,11-12H,2-8H2,1H3,(H,17,19,22)/t12-/m1/s1
InChIKeyTXTDOUOJHUWJRV-GFCCVEGCSA-N
XLogP2.88
TPSA84.15 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[(2R)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]acetamide
CID 125171675
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[(2R)-2-(1,3-thiazol-2-yl)piperidin-1-yl]propanamide
CID 95144645
(2R)-2-(3-methyl-1,2-oxazol-5-yl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-1-carboxamide
CID 94031787
2-(3-methyl-1,2-oxazol-5-yl)-N-[5-[(1S,3S)-3-[5-[[2-(3-methyl-1,2-oxazol-5-yl)acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 90163309
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]propanamide
CID 91836644
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(4-methylphenyl)propanamide
CID 19229276
N-[3-[(2R)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]propyl]methanesulfonamide
CID 94200107
N-(5-methyl-1,2-oxazol-3-yl)-3-[2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]propanamide
CID 47011082
3-methyl-5-[1-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]pyrrolidin-2-yl]-1,2-oxazole
CID 118788668
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-piperidin-1-ylacetamide
CID 29124369
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[(2R)-oxolan-2-yl]propanamide
CID 39090374
2-[(2R)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-1-morpholin-4-ylethanone
CID 94415366

Frequently Asked Questions

What is the IUPAC name of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[(2R)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]propanamide?
The IUPAC name of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[(2R)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]propanamide (CID 124756586) is N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[(2R)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]propanamide.
What is the SMILES notation for N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[(2R)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]propanamide?
The canonical SMILES for N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[(2R)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]propanamide is Cc1cc([C@H]2CCCN2CCC(=O)Nc2nnc(C3CC3)s2)on1.
What is the InChIKey of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[(2R)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]propanamide?
The InChIKey is TXTDOUOJHUWJRV-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H21N5O2S/c1-10-9-13(23-20-10)12-3-2-7-21(12)8-6-14(22)17-16-19-18-15(24-16)11-4-5-11/h9,11-12H,2-8H2,1H3,(H,17,19,22)/t12-/m1/s1.
What are the key properties of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[(2R)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]propanamide?
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[(2R)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]propanamide has a molecular weight of 347.44 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[(2R)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]propanamide is sourced from PubChem (CID 124756586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).