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

C13H18N4OS2 — CID 11426898

IUPACN-[5-[2-(tert-butylamino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(C)c(-c2csc(NC(C)(C)C)n2)s1
InChIInChI=1S/C13H18N4OS2/c1-7-10(20-11(14-7)15-8(2)18)9-6-19-12(16-9)17-13(3,4)5/h6H,1-5H3,(H,16,17)(H,14,15,18)
InChIKeyHAGNZMNEGWDCSF-UHFFFAOYSA-N
MW310.45 g/mol
LogP3.74
Rot. Bonds3

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

N-[5-[2-(tert-butylamino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide (PubChem CID 11426898) has the molecular formula C13H18N4OS2 and a molecular weight of 310.45 g/mol. Its IUPAC name is N-[5-[2-(tert-butylamino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-[2-(tert-butylamino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide
PubChem CID11426898
Molecular FormulaC13H18N4OS2
Molecular Weight310.45 g/mol
Exact Mass310.09
IUPAC NameN-[5-[2-(tert-butylamino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(C)c(-c2csc(NC(C)(C)C)n2)s1
InChIInChI=1S/C13H18N4OS2/c1-7-10(20-11(14-7)15-8(2)18)9-6-19-12(16-9)17-13(3,4)5/h6H,1-5H3,(H,16,17)(H,14,15,18)
InChIKeyHAGNZMNEGWDCSF-UHFFFAOYSA-N
XLogP3.74
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.45
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-[2-(tert-butylamino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[5-[2-(tert-butylamino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide (CID 11426898) is N-[5-[2-(tert-butylamino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[5-[2-(tert-butylamino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[5-[2-(tert-butylamino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1nc(C)c(-c2csc(NC(C)(C)C)n2)s1.
What is the InChIKey of N-[5-[2-(tert-butylamino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide?
The InChIKey is HAGNZMNEGWDCSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4OS2/c1-7-10(20-11(14-7)15-8(2)18)9-6-19-12(16-9)17-13(3,4)5/h6H,1-5H3,(H,16,17)(H,14,15,18).
What are the key properties of N-[5-[2-(tert-butylamino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide?
N-[5-[2-(tert-butylamino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide has a molecular weight of 310.45 g/mol, XLogP of 3.74, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-(tert-butylamino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 11426898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).