(2R)-N-(tert-butylcarbamoyl)-2-[(5-morpholin-4-yl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide

C14H23N5O3S2 — CID 52506993

IUPAC(2R)-N-(tert-butylcarbamoyl)-2-[(5-morpholin-4-yl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide
SMILESC[C@@H](Sc1nnc(N2CCOCC2)s1)C(=O)NC(=O)NC(C)(C)C
InChIInChI=1S/C14H23N5O3S2/c1-9(10(20)15-11(21)16-14(2,3)4)23-13-18-17-12(24-13)19-5-7-22-8-6-19/h9H,5-8H2,1-4H3,(H2,15,16,20,21)/t9-/m1/s1
InChIKeyWLGNKLNFUFXHCO-SECBINFHSA-N
MW373.50 g/mol
LogP1.48
Rot. Bonds4

About (2R)-N-(tert-butylcarbamoyl)-2-[(5-morpholin-4-yl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide

(2R)-N-(tert-butylcarbamoyl)-2-[(5-morpholin-4-yl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide (PubChem CID 52506993) has the molecular formula C14H23N5O3S2 and a molecular weight of 373.50 g/mol. Its IUPAC name is (2R)-N-(tert-butylcarbamoyl)-2-[(5-morpholin-4-yl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide.

Molecular Properties

Compound Name(2R)-N-(tert-butylcarbamoyl)-2-[(5-morpholin-4-yl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide
PubChem CID52506993
Molecular FormulaC14H23N5O3S2
Molecular Weight373.50 g/mol
Exact Mass373.12
IUPAC Name(2R)-N-(tert-butylcarbamoyl)-2-[(5-morpholin-4-yl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide
SMILESC[C@@H](Sc1nnc(N2CCOCC2)s1)C(=O)NC(=O)NC(C)(C)C
InChIInChI=1S/C14H23N5O3S2/c1-9(10(20)15-11(21)16-14(2,3)4)23-13-18-17-12(24-13)19-5-7-22-8-6-19/h9H,5-8H2,1-4H3,(H2,15,16,20,21)/t9-/m1/s1
InChIKeyWLGNKLNFUFXHCO-SECBINFHSA-N
XLogP1.48
TPSA96.45 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze (2R)-N-(tert-butylcarbamoyl)-2-[(5-morpholin-4-yl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(5-morpholin-4-yl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2,4,6-trimethylphenyl)propanamide
CID 47944690
(2R)-N-(tert-butylcarbamoyl)-2-[(4-ethyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide
CID 8992439
4-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)morpholine
CID 130636649
2-[(5-morpholin-4-yl-1,3,4-thiadiazol-2-yl)sulfanyl]propanenitrile
CID 47405314
(2R)-1-(2,3-dihydro-1H-inden-5-yl)-2-[(5-morpholin-4-yl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-1-one
CID 95035524
N-(tert-butylcarbamoyl)-2-morpholin-4-ylpropanamide
CID 51242479
(2R)-N-tert-butyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide
CID 40705970
(2S)-N-(tert-butylcarbamoyl)-2-[[5-(3-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
CID 8972615
2-[[5-(tert-butylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(methylcarbamoyl)propanamide
CID 18101301
2-[[5-(3-bromoanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(tert-butylcarbamoyl)propanamide
CID 24520738
(2S)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-morpholin-4-ylphenyl)propanamide
CID 2127030
(2R)-N-(4-morpholin-4-ylphenyl)-2-[[5-(propan-2-ylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
CID 7257254

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(tert-butylcarbamoyl)-2-[(5-morpholin-4-yl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide?
The IUPAC name of (2R)-N-(tert-butylcarbamoyl)-2-[(5-morpholin-4-yl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide (CID 52506993) is (2R)-N-(tert-butylcarbamoyl)-2-[(5-morpholin-4-yl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide.
What is the SMILES notation for (2R)-N-(tert-butylcarbamoyl)-2-[(5-morpholin-4-yl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide?
The canonical SMILES for (2R)-N-(tert-butylcarbamoyl)-2-[(5-morpholin-4-yl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide is C[C@@H](Sc1nnc(N2CCOCC2)s1)C(=O)NC(=O)NC(C)(C)C.
What is the InChIKey of (2R)-N-(tert-butylcarbamoyl)-2-[(5-morpholin-4-yl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide?
The InChIKey is WLGNKLNFUFXHCO-SECBINFHSA-N. The full InChI is InChI=1S/C14H23N5O3S2/c1-9(10(20)15-11(21)16-14(2,3)4)23-13-18-17-12(24-13)19-5-7-22-8-6-19/h9H,5-8H2,1-4H3,(H2,15,16,20,21)/t9-/m1/s1.
What are the key properties of (2R)-N-(tert-butylcarbamoyl)-2-[(5-morpholin-4-yl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide?
(2R)-N-(tert-butylcarbamoyl)-2-[(5-morpholin-4-yl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide has a molecular weight of 373.50 g/mol, XLogP of 1.48, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(tert-butylcarbamoyl)-2-[(5-morpholin-4-yl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide is sourced from PubChem (CID 52506993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).