2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]-N-(tert-butylcarbamoyl)acetamide

C11H18N4O2S2 — CID 43250708

IUPAC2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]-N-(tert-butylcarbamoyl)acetamide
SMILESCc1nc(N)sc1SCC(=O)NC(=O)NC(C)(C)C
InChIInChI=1S/C11H18N4O2S2/c1-6-8(19-9(12)13-6)18-5-7(16)14-10(17)15-11(2,3)4/h5H2,1-4H3,(H2,12,13)(H2,14,15,16,17)
InChIKeyPZRHSYQFMVAPDO-UHFFFAOYSA-N
MW302.43 g/mol
LogP1.75
Rot. Bonds3

About 2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]-N-(tert-butylcarbamoyl)acetamide

2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]-N-(tert-butylcarbamoyl)acetamide (PubChem CID 43250708) has the molecular formula C11H18N4O2S2 and a molecular weight of 302.43 g/mol. Its IUPAC name is 2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]-N-(tert-butylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]-N-(tert-butylcarbamoyl)acetamide
PubChem CID43250708
Molecular FormulaC11H18N4O2S2
Molecular Weight302.43 g/mol
Exact Mass302.09
IUPAC Name2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]-N-(tert-butylcarbamoyl)acetamide
SMILESCc1nc(N)sc1SCC(=O)NC(=O)NC(C)(C)C
InChIInChI=1S/C11H18N4O2S2/c1-6-8(19-9(12)13-6)18-5-7(16)14-10(17)15-11(2,3)4/h5H2,1-4H3,(H2,12,13)(H2,14,15,16,17)
InChIKeyPZRHSYQFMVAPDO-UHFFFAOYSA-N
XLogP1.75
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.43
LogP ≤ 51.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]-N-(tert-butylcarbamoyl)acetamide?
The IUPAC name of 2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]-N-(tert-butylcarbamoyl)acetamide (CID 43250708) is 2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]-N-(tert-butylcarbamoyl)acetamide.
What is the SMILES notation for 2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]-N-(tert-butylcarbamoyl)acetamide?
The canonical SMILES for 2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]-N-(tert-butylcarbamoyl)acetamide is Cc1nc(N)sc1SCC(=O)NC(=O)NC(C)(C)C.
What is the InChIKey of 2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]-N-(tert-butylcarbamoyl)acetamide?
The InChIKey is PZRHSYQFMVAPDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2S2/c1-6-8(19-9(12)13-6)18-5-7(16)14-10(17)15-11(2,3)4/h5H2,1-4H3,(H2,12,13)(H2,14,15,16,17).
What are the key properties of 2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]-N-(tert-butylcarbamoyl)acetamide?
2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]-N-(tert-butylcarbamoyl)acetamide has a molecular weight of 302.43 g/mol, XLogP of 1.75, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]-N-(tert-butylcarbamoyl)acetamide is sourced from PubChem (CID 43250708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).