N-methyl-3-(5-methyl-1H-1,2,4-triazol-3-yl)-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]propanamide

C17H19N5OS — CID 56905178

IUPACN-methyl-3-(5-methyl-1H-1,2,4-triazol-3-yl)-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]propanamide
SMILESCc1nc(CCC(=O)N(C)Cc2csc(-c3ccccc3)n2)n[nH]1
InChIInChI=1S/C17H19N5OS/c1-12-18-15(21-20-12)8-9-16(23)22(2)10-14-11-24-17(19-14)13-6-4-3-5-7-13/h3-7,11H,8-10H2,1-2H3,(H,18,20,21)
InChIKeyBDZYLDGKXHREAN-UHFFFAOYSA-N
MW341.44 g/mol
LogP2.83
Rot. Bonds6

About N-methyl-3-(5-methyl-1H-1,2,4-triazol-3-yl)-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]propanamide

N-methyl-3-(5-methyl-1H-1,2,4-triazol-3-yl)-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]propanamide (PubChem CID 56905178) has the molecular formula C17H19N5OS and a molecular weight of 341.44 g/mol. Its IUPAC name is N-methyl-3-(5-methyl-1H-1,2,4-triazol-3-yl)-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]propanamide.

Molecular Properties

Compound NameN-methyl-3-(5-methyl-1H-1,2,4-triazol-3-yl)-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]propanamide
PubChem CID56905178
Molecular FormulaC17H19N5OS
Molecular Weight341.44 g/mol
Exact Mass341.13
IUPAC NameN-methyl-3-(5-methyl-1H-1,2,4-triazol-3-yl)-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]propanamide
SMILESCc1nc(CCC(=O)N(C)Cc2csc(-c3ccccc3)n2)n[nH]1
InChIInChI=1S/C17H19N5OS/c1-12-18-15(21-20-12)8-9-16(23)22(2)10-14-11-24-17(19-14)13-6-4-3-5-7-13/h3-7,11H,8-10H2,1-2H3,(H,18,20,21)
InChIKeyBDZYLDGKXHREAN-UHFFFAOYSA-N
XLogP2.83
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(5-methyl-1H-1,2,4-triazol-3-yl)-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]propanamide?
The IUPAC name of N-methyl-3-(5-methyl-1H-1,2,4-triazol-3-yl)-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]propanamide (CID 56905178) is N-methyl-3-(5-methyl-1H-1,2,4-triazol-3-yl)-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]propanamide.
What is the SMILES notation for N-methyl-3-(5-methyl-1H-1,2,4-triazol-3-yl)-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]propanamide?
The canonical SMILES for N-methyl-3-(5-methyl-1H-1,2,4-triazol-3-yl)-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]propanamide is Cc1nc(CCC(=O)N(C)Cc2csc(-c3ccccc3)n2)n[nH]1.
What is the InChIKey of N-methyl-3-(5-methyl-1H-1,2,4-triazol-3-yl)-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]propanamide?
The InChIKey is BDZYLDGKXHREAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5OS/c1-12-18-15(21-20-12)8-9-16(23)22(2)10-14-11-24-17(19-14)13-6-4-3-5-7-13/h3-7,11H,8-10H2,1-2H3,(H,18,20,21).
What are the key properties of N-methyl-3-(5-methyl-1H-1,2,4-triazol-3-yl)-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]propanamide?
N-methyl-3-(5-methyl-1H-1,2,4-triazol-3-yl)-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]propanamide has a molecular weight of 341.44 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(5-methyl-1H-1,2,4-triazol-3-yl)-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]propanamide is sourced from PubChem (CID 56905178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).