2-amino-N-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methyl]-1,3-thiazole-4-carboxamide

C12H16N4OS2 — CID 122568398

IUPAC2-amino-N-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methyl]-1,3-thiazole-4-carboxamide
SMILESCCCc1nc(C)c(CNC(=O)c2csc(N)n2)s1
InChIInChI=1S/C12H16N4OS2/c1-3-4-10-15-7(2)9(19-10)5-14-11(17)8-6-18-12(13)16-8/h6H,3-5H2,1-2H3,(H2,13,16)(H,14,17)
InChIKeyAWIAZLUXPOITKB-UHFFFAOYSA-N
MW296.42 g/mol
LogP2.37
Rot. Bonds5

About 2-amino-N-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methyl]-1,3-thiazole-4-carboxamide

2-amino-N-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methyl]-1,3-thiazole-4-carboxamide (PubChem CID 122568398) has the molecular formula C12H16N4OS2 and a molecular weight of 296.42 g/mol. Its IUPAC name is 2-amino-N-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-amino-N-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methyl]-1,3-thiazole-4-carboxamide
PubChem CID122568398
Molecular FormulaC12H16N4OS2
Molecular Weight296.42 g/mol
Exact Mass296.08
IUPAC Name2-amino-N-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methyl]-1,3-thiazole-4-carboxamide
SMILESCCCc1nc(C)c(CNC(=O)c2csc(N)n2)s1
InChIInChI=1S/C12H16N4OS2/c1-3-4-10-15-7(2)9(19-10)5-14-11(17)8-6-18-12(13)16-8/h6H,3-5H2,1-2H3,(H2,13,16)(H,14,17)
InChIKeyAWIAZLUXPOITKB-UHFFFAOYSA-N
XLogP2.37
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.42
LogP ≤ 52.37
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-methyl-2-propyl-1,3-thiazol-5-yl)methyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-amino-N-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methyl]-1,3-thiazole-4-carboxamide (CID 122568398) is 2-amino-N-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-amino-N-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-amino-N-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methyl]-1,3-thiazole-4-carboxamide is CCCc1nc(C)c(CNC(=O)c2csc(N)n2)s1.
What is the InChIKey of 2-amino-N-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methyl]-1,3-thiazole-4-carboxamide?
The InChIKey is AWIAZLUXPOITKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4OS2/c1-3-4-10-15-7(2)9(19-10)5-14-11(17)8-6-18-12(13)16-8/h6H,3-5H2,1-2H3,(H2,13,16)(H,14,17).
What are the key properties of 2-amino-N-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methyl]-1,3-thiazole-4-carboxamide?
2-amino-N-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methyl]-1,3-thiazole-4-carboxamide has a molecular weight of 296.42 g/mol, XLogP of 2.37, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 122568398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).