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

C14H12N4OS2 — CID 656067

IUPACN-[5-(2-amino-1,3-thiazol-4-yl)-4-methyl-1,3-thiazol-2-yl]benzamide
SMILESCc1nc(NC(=O)c2ccccc2)sc1-c1csc(N)n1
InChIInChI=1S/C14H12N4OS2/c1-8-11(10-7-20-13(15)17-10)21-14(16-8)18-12(19)9-5-3-2-4-6-9/h2-7H,1H3,(H2,15,17)(H,16,18,19)
InChIKeyRROKIMRDEZUQOY-UHFFFAOYSA-N
MW316.41 g/mol
LogP3.41
Rot. Bonds3

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

N-[5-(2-amino-1,3-thiazol-4-yl)-4-methyl-1,3-thiazol-2-yl]benzamide (PubChem CID 656067) has the molecular formula C14H12N4OS2 and a molecular weight of 316.41 g/mol. Its IUPAC name is N-[5-(2-amino-1,3-thiazol-4-yl)-4-methyl-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound NameN-[5-(2-amino-1,3-thiazol-4-yl)-4-methyl-1,3-thiazol-2-yl]benzamide
PubChem CID656067
Molecular FormulaC14H12N4OS2
Molecular Weight316.41 g/mol
Exact Mass316.05
IUPAC NameN-[5-(2-amino-1,3-thiazol-4-yl)-4-methyl-1,3-thiazol-2-yl]benzamide
SMILESCc1nc(NC(=O)c2ccccc2)sc1-c1csc(N)n1
InChIInChI=1S/C14H12N4OS2/c1-8-11(10-7-20-13(15)17-10)21-14(16-8)18-12(19)9-5-3-2-4-6-9/h2-7H,1H3,(H2,15,17)(H,16,18,19)
InChIKeyRROKIMRDEZUQOY-UHFFFAOYSA-N
XLogP3.41
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-(2-amino-1,3-thiazol-4-yl)-4-methyl-1,3-thiazol-2-yl]benzamide?
The IUPAC name of N-[5-(2-amino-1,3-thiazol-4-yl)-4-methyl-1,3-thiazol-2-yl]benzamide (CID 656067) is N-[5-(2-amino-1,3-thiazol-4-yl)-4-methyl-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for N-[5-(2-amino-1,3-thiazol-4-yl)-4-methyl-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for N-[5-(2-amino-1,3-thiazol-4-yl)-4-methyl-1,3-thiazol-2-yl]benzamide is Cc1nc(NC(=O)c2ccccc2)sc1-c1csc(N)n1.
What is the InChIKey of N-[5-(2-amino-1,3-thiazol-4-yl)-4-methyl-1,3-thiazol-2-yl]benzamide?
The InChIKey is RROKIMRDEZUQOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4OS2/c1-8-11(10-7-20-13(15)17-10)21-14(16-8)18-12(19)9-5-3-2-4-6-9/h2-7H,1H3,(H2,15,17)(H,16,18,19).
What are the key properties of N-[5-(2-amino-1,3-thiazol-4-yl)-4-methyl-1,3-thiazol-2-yl]benzamide?
N-[5-(2-amino-1,3-thiazol-4-yl)-4-methyl-1,3-thiazol-2-yl]benzamide has a molecular weight of 316.41 g/mol, XLogP of 3.41, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-amino-1,3-thiazol-4-yl)-4-methyl-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 656067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).