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

C16H16N4OS2 — CID 28901044

IUPACN-[5-(2-amino-1,3-thiazol-4-yl)-4-methyl-1,3-thiazol-2-yl]-3-phenylpropanamide
SMILESCc1nc(NC(=O)CCc2ccccc2)sc1-c1csc(N)n1
InChIInChI=1S/C16H16N4OS2/c1-10-14(12-9-22-15(17)19-12)23-16(18-10)20-13(21)8-7-11-5-3-2-4-6-11/h2-6,9H,7-8H2,1H3,(H2,17,19)(H,18,20,21)
InChIKeyGLWBOAUISZFVDS-UHFFFAOYSA-N
MW344.47 g/mol
LogP3.73
Rot. Bonds5

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

N-[5-(2-amino-1,3-thiazol-4-yl)-4-methyl-1,3-thiazol-2-yl]-3-phenylpropanamide (PubChem CID 28901044) has the molecular formula C16H16N4OS2 and a molecular weight of 344.47 g/mol. Its IUPAC name is N-[5-(2-amino-1,3-thiazol-4-yl)-4-methyl-1,3-thiazol-2-yl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[5-(2-amino-1,3-thiazol-4-yl)-4-methyl-1,3-thiazol-2-yl]-3-phenylpropanamide
PubChem CID28901044
Molecular FormulaC16H16N4OS2
Molecular Weight344.47 g/mol
Exact Mass344.08
IUPAC NameN-[5-(2-amino-1,3-thiazol-4-yl)-4-methyl-1,3-thiazol-2-yl]-3-phenylpropanamide
SMILESCc1nc(NC(=O)CCc2ccccc2)sc1-c1csc(N)n1
InChIInChI=1S/C16H16N4OS2/c1-10-14(12-9-22-15(17)19-12)23-16(18-10)20-13(21)8-7-11-5-3-2-4-6-11/h2-6,9H,7-8H2,1H3,(H2,17,19)(H,18,20,21)
InChIKeyGLWBOAUISZFVDS-UHFFFAOYSA-N
XLogP3.73
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.47
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-methyl-5-[2-(2-phenylethyl)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]acetamide
CID 161394086
N-[5-(4-fluorophenyl)-4-methyl-1,3-thiazol-2-yl]-3-phenylpropanamide
CID 57415009
N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-phenylpropanamide
CID 733834
N-[5-(2-amino-1,3-thiazol-4-yl)-4-methyl-1,3-thiazol-2-yl]-3-methylbutanamide
CID 28900969
N-[5-[2-(benzylamino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]propanamide
CID 1144645
N-(4-methyl-5-phenyl-1,3-thiazol-2-yl)-3-thiophen-3-ylpropanamide
CID 39189565
N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-3-phenylpropanamide
CID 28865127
ethyl 4-methyl-2-(3-phenylpropanoylamino)-1,3-thiazole-5-carboxylate
CID 2072961
3-[4-[[4-(2-acetamido-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]phenyl]propanoic acid
CID 87682710
3-phenyl-N-(4-phenyl-1,3-thiazol-2-yl)propanamide
CID 840341
N-(5-amino-4-methyl-1,3-thiazol-2-yl)-3-(4-methylphenyl)propanamide
CID 82342481
prop-2-enyl 4-methyl-2-(3-phenylpropanoylamino)-1,3-thiazole-5-carboxylate
CID 110441503

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]-3-phenylpropanamide?
The IUPAC name of N-[5-(2-amino-1,3-thiazol-4-yl)-4-methyl-1,3-thiazol-2-yl]-3-phenylpropanamide (CID 28901044) is N-[5-(2-amino-1,3-thiazol-4-yl)-4-methyl-1,3-thiazol-2-yl]-3-phenylpropanamide.
What is the SMILES notation for N-[5-(2-amino-1,3-thiazol-4-yl)-4-methyl-1,3-thiazol-2-yl]-3-phenylpropanamide?
The canonical SMILES for N-[5-(2-amino-1,3-thiazol-4-yl)-4-methyl-1,3-thiazol-2-yl]-3-phenylpropanamide is Cc1nc(NC(=O)CCc2ccccc2)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]-3-phenylpropanamide?
The InChIKey is GLWBOAUISZFVDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4OS2/c1-10-14(12-9-22-15(17)19-12)23-16(18-10)20-13(21)8-7-11-5-3-2-4-6-11/h2-6,9H,7-8H2,1H3,(H2,17,19)(H,18,20,21).
What are the key properties of N-[5-(2-amino-1,3-thiazol-4-yl)-4-methyl-1,3-thiazol-2-yl]-3-phenylpropanamide?
N-[5-(2-amino-1,3-thiazol-4-yl)-4-methyl-1,3-thiazol-2-yl]-3-phenylpropanamide has a molecular weight of 344.47 g/mol, XLogP of 3.73, 5 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]-3-phenylpropanamide is sourced from PubChem (CID 28901044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).