3-amino-N-(4-methyl-5-methylsulfanyl-1,3-thiazol-2-yl)propanamide

C8H13N3OS2 — CID 130831835

IUPAC3-amino-N-(4-methyl-5-methylsulfanyl-1,3-thiazol-2-yl)propanamide
SMILESCSc1sc(NC(=O)CCN)nc1C
InChIInChI=1S/C8H13N3OS2/c1-5-7(13-2)14-8(10-5)11-6(12)3-4-9/h3-4,9H2,1-2H3,(H,10,11,12)
InChIKeyJCQQLHAQROTYHA-UHFFFAOYSA-N
MW231.35 g/mol
LogP1.46
Rot. Bonds4

About 3-amino-N-(4-methyl-5-methylsulfanyl-1,3-thiazol-2-yl)propanamide

3-amino-N-(4-methyl-5-methylsulfanyl-1,3-thiazol-2-yl)propanamide (PubChem CID 130831835) has the molecular formula C8H13N3OS2 and a molecular weight of 231.35 g/mol. Its IUPAC name is 3-amino-N-(4-methyl-5-methylsulfanyl-1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name3-amino-N-(4-methyl-5-methylsulfanyl-1,3-thiazol-2-yl)propanamide
PubChem CID130831835
Molecular FormulaC8H13N3OS2
Molecular Weight231.35 g/mol
Exact Mass231.05
IUPAC Name3-amino-N-(4-methyl-5-methylsulfanyl-1,3-thiazol-2-yl)propanamide
SMILESCSc1sc(NC(=O)CCN)nc1C
InChIInChI=1S/C8H13N3OS2/c1-5-7(13-2)14-8(10-5)11-6(12)3-4-9/h3-4,9H2,1-2H3,(H,10,11,12)
InChIKeyJCQQLHAQROTYHA-UHFFFAOYSA-N
XLogP1.46
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.35
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(4-methyl-5-methylsulfanyl-1,3-thiazol-2-yl)propanamide?
The IUPAC name of 3-amino-N-(4-methyl-5-methylsulfanyl-1,3-thiazol-2-yl)propanamide (CID 130831835) is 3-amino-N-(4-methyl-5-methylsulfanyl-1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for 3-amino-N-(4-methyl-5-methylsulfanyl-1,3-thiazol-2-yl)propanamide?
The canonical SMILES for 3-amino-N-(4-methyl-5-methylsulfanyl-1,3-thiazol-2-yl)propanamide is CSc1sc(NC(=O)CCN)nc1C.
What is the InChIKey of 3-amino-N-(4-methyl-5-methylsulfanyl-1,3-thiazol-2-yl)propanamide?
The InChIKey is JCQQLHAQROTYHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3OS2/c1-5-7(13-2)14-8(10-5)11-6(12)3-4-9/h3-4,9H2,1-2H3,(H,10,11,12).
What are the key properties of 3-amino-N-(4-methyl-5-methylsulfanyl-1,3-thiazol-2-yl)propanamide?
3-amino-N-(4-methyl-5-methylsulfanyl-1,3-thiazol-2-yl)propanamide has a molecular weight of 231.35 g/mol, XLogP of 1.46, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(4-methyl-5-methylsulfanyl-1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 130831835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).