(2S)-N-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-2-(3,5-dimethylpyrazol-1-yl)propanamide

C12H18N6OS — CID 124750819

IUPAC(2S)-N-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-2-(3,5-dimethylpyrazol-1-yl)propanamide
SMILESCc1cc(C)n([C@@H](C)C(=O)NCCc2nnc(N)s2)n1
InChIInChI=1S/C12H18N6OS/c1-7-6-8(2)18(17-7)9(3)11(19)14-5-4-10-15-16-12(13)20-10/h6,9H,4-5H2,1-3H3,(H2,13,16)(H,14,19)/t9-/m0/s1
InChIKeyDXBVOZAZQSIKIE-VIFPVBQESA-N
MW294.38 g/mol
LogP0.85
Rot. Bonds5

About (2S)-N-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-2-(3,5-dimethylpyrazol-1-yl)propanamide

(2S)-N-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-2-(3,5-dimethylpyrazol-1-yl)propanamide (PubChem CID 124750819) has the molecular formula C12H18N6OS and a molecular weight of 294.38 g/mol. Its IUPAC name is (2S)-N-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-2-(3,5-dimethylpyrazol-1-yl)propanamide.

Molecular Properties

Compound Name(2S)-N-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-2-(3,5-dimethylpyrazol-1-yl)propanamide
PubChem CID124750819
Molecular FormulaC12H18N6OS
Molecular Weight294.38 g/mol
Exact Mass294.13
IUPAC Name(2S)-N-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-2-(3,5-dimethylpyrazol-1-yl)propanamide
SMILESCc1cc(C)n([C@@H](C)C(=O)NCCc2nnc(N)s2)n1
InChIInChI=1S/C12H18N6OS/c1-7-6-8(2)18(17-7)9(3)11(19)14-5-4-10-15-16-12(13)20-10/h6,9H,4-5H2,1-3H3,(H2,13,16)(H,14,19)/t9-/m0/s1
InChIKeyDXBVOZAZQSIKIE-VIFPVBQESA-N
XLogP0.85
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-2-(3,5-dimethylpyrazol-1-yl)propanamide?
The IUPAC name of (2S)-N-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-2-(3,5-dimethylpyrazol-1-yl)propanamide (CID 124750819) is (2S)-N-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-2-(3,5-dimethylpyrazol-1-yl)propanamide.
What is the SMILES notation for (2S)-N-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-2-(3,5-dimethylpyrazol-1-yl)propanamide?
The canonical SMILES for (2S)-N-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-2-(3,5-dimethylpyrazol-1-yl)propanamide is Cc1cc(C)n([C@@H](C)C(=O)NCCc2nnc(N)s2)n1.
What is the InChIKey of (2S)-N-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-2-(3,5-dimethylpyrazol-1-yl)propanamide?
The InChIKey is DXBVOZAZQSIKIE-VIFPVBQESA-N. The full InChI is InChI=1S/C12H18N6OS/c1-7-6-8(2)18(17-7)9(3)11(19)14-5-4-10-15-16-12(13)20-10/h6,9H,4-5H2,1-3H3,(H2,13,16)(H,14,19)/t9-/m0/s1.
What are the key properties of (2S)-N-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-2-(3,5-dimethylpyrazol-1-yl)propanamide?
(2S)-N-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-2-(3,5-dimethylpyrazol-1-yl)propanamide has a molecular weight of 294.38 g/mol, XLogP of 0.85, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-2-(3,5-dimethylpyrazol-1-yl)propanamide is sourced from PubChem (CID 124750819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).