2-amino-N-(4-tert-butyl-1,3-thiazol-2-yl)-4-methyl-1,3-thiazole-5-carboxamide

C12H16N4OS2 — CID 55115678

IUPAC2-amino-N-(4-tert-butyl-1,3-thiazol-2-yl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(N)sc1C(=O)Nc1nc(C(C)(C)C)cs1
InChIInChI=1S/C12H16N4OS2/c1-6-8(19-10(13)14-6)9(17)16-11-15-7(5-18-11)12(2,3)4/h5H,1-4H3,(H2,13,14)(H,15,16,17)
InChIKeyFHNCTRCGCFTGQT-UHFFFAOYSA-N
MW296.42 g/mol
LogP3.04
Rot. Bonds2

About 2-amino-N-(4-tert-butyl-1,3-thiazol-2-yl)-4-methyl-1,3-thiazole-5-carboxamide

2-amino-N-(4-tert-butyl-1,3-thiazol-2-yl)-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 55115678) has the molecular formula C12H16N4OS2 and a molecular weight of 296.42 g/mol. Its IUPAC name is 2-amino-N-(4-tert-butyl-1,3-thiazol-2-yl)-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-amino-N-(4-tert-butyl-1,3-thiazol-2-yl)-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID55115678
Molecular FormulaC12H16N4OS2
Molecular Weight296.42 g/mol
Exact Mass296.08
IUPAC Name2-amino-N-(4-tert-butyl-1,3-thiazol-2-yl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(N)sc1C(=O)Nc1nc(C(C)(C)C)cs1
InChIInChI=1S/C12H16N4OS2/c1-6-8(19-10(13)14-6)9(17)16-11-15-7(5-18-11)12(2,3)4/h5H,1-4H3,(H2,13,14)(H,15,16,17)
InChIKeyFHNCTRCGCFTGQT-UHFFFAOYSA-N
XLogP3.04
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.42
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(4-tert-butyl-1,3-thiazol-2-yl)-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-amino-N-(4-tert-butyl-1,3-thiazol-2-yl)-4-methyl-1,3-thiazole-5-carboxamide (CID 55115678) is 2-amino-N-(4-tert-butyl-1,3-thiazol-2-yl)-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-amino-N-(4-tert-butyl-1,3-thiazol-2-yl)-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-amino-N-(4-tert-butyl-1,3-thiazol-2-yl)-4-methyl-1,3-thiazole-5-carboxamide is Cc1nc(N)sc1C(=O)Nc1nc(C(C)(C)C)cs1.
What is the InChIKey of 2-amino-N-(4-tert-butyl-1,3-thiazol-2-yl)-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is FHNCTRCGCFTGQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4OS2/c1-6-8(19-10(13)14-6)9(17)16-11-15-7(5-18-11)12(2,3)4/h5H,1-4H3,(H2,13,14)(H,15,16,17).
What are the key properties of 2-amino-N-(4-tert-butyl-1,3-thiazol-2-yl)-4-methyl-1,3-thiazole-5-carboxamide?
2-amino-N-(4-tert-butyl-1,3-thiazol-2-yl)-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 296.42 g/mol, XLogP of 3.04, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(4-tert-butyl-1,3-thiazol-2-yl)-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 55115678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).