(2S)-N-[2-(5-amino-1,3,4-thiadiazol-2-yl)propan-2-yl]-2-(3,4-dihydro-1H-isoquinolin-2-yl)propanamide

C17H23N5OS — CID 97206357

IUPAC(2S)-N-[2-(5-amino-1,3,4-thiadiazol-2-yl)propan-2-yl]-2-(3,4-dihydro-1H-isoquinolin-2-yl)propanamide
SMILESC[C@@H](C(=O)NC(C)(C)c1nnc(N)s1)N1CCc2ccccc2C1
InChIInChI=1S/C17H23N5OS/c1-11(22-9-8-12-6-4-5-7-13(12)10-22)14(23)19-17(2,3)15-20-21-16(18)24-15/h4-7,11H,8-10H2,1-3H3,(H2,18,21)(H,19,23)/t11-/m0/s1
InChIKeyUBCOUUSPWPJNEX-NSHDSACASA-N
MW345.47 g/mol
LogP1.92
Rot. Bonds4

About (2S)-N-[2-(5-amino-1,3,4-thiadiazol-2-yl)propan-2-yl]-2-(3,4-dihydro-1H-isoquinolin-2-yl)propanamide

(2S)-N-[2-(5-amino-1,3,4-thiadiazol-2-yl)propan-2-yl]-2-(3,4-dihydro-1H-isoquinolin-2-yl)propanamide (PubChem CID 97206357) has the molecular formula C17H23N5OS and a molecular weight of 345.47 g/mol. Its IUPAC name is (2S)-N-[2-(5-amino-1,3,4-thiadiazol-2-yl)propan-2-yl]-2-(3,4-dihydro-1H-isoquinolin-2-yl)propanamide.

Molecular Properties

Compound Name(2S)-N-[2-(5-amino-1,3,4-thiadiazol-2-yl)propan-2-yl]-2-(3,4-dihydro-1H-isoquinolin-2-yl)propanamide
PubChem CID97206357
Molecular FormulaC17H23N5OS
Molecular Weight345.47 g/mol
Exact Mass345.16
IUPAC Name(2S)-N-[2-(5-amino-1,3,4-thiadiazol-2-yl)propan-2-yl]-2-(3,4-dihydro-1H-isoquinolin-2-yl)propanamide
SMILESC[C@@H](C(=O)NC(C)(C)c1nnc(N)s1)N1CCc2ccccc2C1
InChIInChI=1S/C17H23N5OS/c1-11(22-9-8-12-6-4-5-7-13(12)10-22)14(23)19-17(2,3)15-20-21-16(18)24-15/h4-7,11H,8-10H2,1-3H3,(H2,18,21)(H,19,23)/t11-/m0/s1
InChIKeyUBCOUUSPWPJNEX-NSHDSACASA-N
XLogP1.92
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-[2-(5-amino-1,3,4-thiadiazol-2-yl)propan-2-yl]-2-(3,4-dihydro-1H-isoquinolin-2-yl)propanamide?
The IUPAC name of (2S)-N-[2-(5-amino-1,3,4-thiadiazol-2-yl)propan-2-yl]-2-(3,4-dihydro-1H-isoquinolin-2-yl)propanamide (CID 97206357) is (2S)-N-[2-(5-amino-1,3,4-thiadiazol-2-yl)propan-2-yl]-2-(3,4-dihydro-1H-isoquinolin-2-yl)propanamide.
What is the SMILES notation for (2S)-N-[2-(5-amino-1,3,4-thiadiazol-2-yl)propan-2-yl]-2-(3,4-dihydro-1H-isoquinolin-2-yl)propanamide?
The canonical SMILES for (2S)-N-[2-(5-amino-1,3,4-thiadiazol-2-yl)propan-2-yl]-2-(3,4-dihydro-1H-isoquinolin-2-yl)propanamide is C[C@@H](C(=O)NC(C)(C)c1nnc(N)s1)N1CCc2ccccc2C1.
What is the InChIKey of (2S)-N-[2-(5-amino-1,3,4-thiadiazol-2-yl)propan-2-yl]-2-(3,4-dihydro-1H-isoquinolin-2-yl)propanamide?
The InChIKey is UBCOUUSPWPJNEX-NSHDSACASA-N. The full InChI is InChI=1S/C17H23N5OS/c1-11(22-9-8-12-6-4-5-7-13(12)10-22)14(23)19-17(2,3)15-20-21-16(18)24-15/h4-7,11H,8-10H2,1-3H3,(H2,18,21)(H,19,23)/t11-/m0/s1.
What are the key properties of (2S)-N-[2-(5-amino-1,3,4-thiadiazol-2-yl)propan-2-yl]-2-(3,4-dihydro-1H-isoquinolin-2-yl)propanamide?
(2S)-N-[2-(5-amino-1,3,4-thiadiazol-2-yl)propan-2-yl]-2-(3,4-dihydro-1H-isoquinolin-2-yl)propanamide has a molecular weight of 345.47 g/mol, XLogP of 1.92, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[2-(5-amino-1,3,4-thiadiazol-2-yl)propan-2-yl]-2-(3,4-dihydro-1H-isoquinolin-2-yl)propanamide is sourced from PubChem (CID 97206357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).