2-[methyl-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]propanoic acid

C9H15N3O2S — CID 65270725

IUPAC2-[methyl-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]propanoic acid
SMILESCC(C)c1nsc(N(C)C(C)C(=O)O)n1
InChIInChI=1S/C9H15N3O2S/c1-5(2)7-10-9(15-11-7)12(4)6(3)8(13)14/h5-6H,1-4H3,(H,13,14)
InChIKeyPHHYSBWOPDNXCH-UHFFFAOYSA-N
MW229.31 g/mol
LogP1.57
Rot. Bonds4

About 2-[methyl-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]propanoic acid

2-[methyl-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]propanoic acid (PubChem CID 65270725) has the molecular formula C9H15N3O2S and a molecular weight of 229.31 g/mol. Its IUPAC name is 2-[methyl-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]propanoic acid.

Molecular Properties

Compound Name2-[methyl-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]propanoic acid
PubChem CID65270725
Molecular FormulaC9H15N3O2S
Molecular Weight229.31 g/mol
Exact Mass229.09
IUPAC Name2-[methyl-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]propanoic acid
SMILESCC(C)c1nsc(N(C)C(C)C(=O)O)n1
InChIInChI=1S/C9H15N3O2S/c1-5(2)7-10-9(15-11-7)12(4)6(3)8(13)14/h5-6H,1-4H3,(H,13,14)
InChIKeyPHHYSBWOPDNXCH-UHFFFAOYSA-N
XLogP1.57
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.31
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-propan-2-yl-1,2,4-thiadiazole-5-carboxylic acid
CID 23365085
methyl 4-[methyl-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]butanoate
CID 65274920
2-[methyl(1,3-thiazol-2-yl)amino]propanoic acid
CID 62638118
N-(2-chloropropyl)-N-methyl-3-propan-2-yl-1,2,4-thiadiazol-5-amine
CID 65278099
(3-propan-2-yl-1,2,4-thiadiazol-5-yl)carbamic acid
CID 68803275
3,5-di(propan-2-yl)-1,2,4-thiadiazole
CID 167579429
N',2-dimethyl-N'-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)propane-1,3-diamine
CID 65270558
methyl 3-[ethyl-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]propanoate
CID 65275314
3-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)butan-2-one
CID 65280720
N-(5-methyl-1,2-oxazol-3-yl)-2-[methyl-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]acetamide
CID 133359021
2-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)propanamide
CID 143219892
(2S)-2-(dimethylamino)propanoic acid;hydrochloride
CID 71350321

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]propanoic acid?
The IUPAC name of 2-[methyl-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]propanoic acid (CID 65270725) is 2-[methyl-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]propanoic acid.
What is the SMILES notation for 2-[methyl-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]propanoic acid?
The canonical SMILES for 2-[methyl-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]propanoic acid is CC(C)c1nsc(N(C)C(C)C(=O)O)n1.
What is the InChIKey of 2-[methyl-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]propanoic acid?
The InChIKey is PHHYSBWOPDNXCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2S/c1-5(2)7-10-9(15-11-7)12(4)6(3)8(13)14/h5-6H,1-4H3,(H,13,14).
What are the key properties of 2-[methyl-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]propanoic acid?
2-[methyl-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]propanoic acid has a molecular weight of 229.31 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]propanoic acid is sourced from PubChem (CID 65270725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).