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

C17H20N6OS — CID 11646119

IUPAC2-methyl-N-[4-phenyl-5-(2-propyltetrazol-5-yl)-1,3-thiazol-2-yl]propanamide
SMILESCCCn1nnc(-c2sc(NC(=O)C(C)C)nc2-c2ccccc2)n1
InChIInChI=1S/C17H20N6OS/c1-4-10-23-21-15(20-22-23)14-13(12-8-6-5-7-9-12)18-17(25-14)19-16(24)11(2)3/h5-9,11H,4,10H2,1-3H3,(H,18,19,24)
InChIKeyISEDGFCSFDUQQA-UHFFFAOYSA-N
MW356.46 g/mol
LogP3.47
Rot. Bonds6

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

2-methyl-N-[4-phenyl-5-(2-propyltetrazol-5-yl)-1,3-thiazol-2-yl]propanamide (PubChem CID 11646119) has the molecular formula C17H20N6OS and a molecular weight of 356.46 g/mol. Its IUPAC name is 2-methyl-N-[4-phenyl-5-(2-propyltetrazol-5-yl)-1,3-thiazol-2-yl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[4-phenyl-5-(2-propyltetrazol-5-yl)-1,3-thiazol-2-yl]propanamide
PubChem CID11646119
Molecular FormulaC17H20N6OS
Molecular Weight356.46 g/mol
Exact Mass356.14
IUPAC Name2-methyl-N-[4-phenyl-5-(2-propyltetrazol-5-yl)-1,3-thiazol-2-yl]propanamide
SMILESCCCn1nnc(-c2sc(NC(=O)C(C)C)nc2-c2ccccc2)n1
InChIInChI=1S/C17H20N6OS/c1-4-10-23-21-15(20-22-23)14-13(12-8-6-5-7-9-12)18-17(25-14)19-16(24)11(2)3/h5-9,11H,4,10H2,1-3H3,(H,18,19,24)
InChIKeyISEDGFCSFDUQQA-UHFFFAOYSA-N
XLogP3.47
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.46
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[4-phenyl-5-(2-propyltetrazol-5-yl)-1,3-thiazol-2-yl]propanamide?
The IUPAC name of 2-methyl-N-[4-phenyl-5-(2-propyltetrazol-5-yl)-1,3-thiazol-2-yl]propanamide (CID 11646119) is 2-methyl-N-[4-phenyl-5-(2-propyltetrazol-5-yl)-1,3-thiazol-2-yl]propanamide.
What is the SMILES notation for 2-methyl-N-[4-phenyl-5-(2-propyltetrazol-5-yl)-1,3-thiazol-2-yl]propanamide?
The canonical SMILES for 2-methyl-N-[4-phenyl-5-(2-propyltetrazol-5-yl)-1,3-thiazol-2-yl]propanamide is CCCn1nnc(-c2sc(NC(=O)C(C)C)nc2-c2ccccc2)n1.
What is the InChIKey of 2-methyl-N-[4-phenyl-5-(2-propyltetrazol-5-yl)-1,3-thiazol-2-yl]propanamide?
The InChIKey is ISEDGFCSFDUQQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6OS/c1-4-10-23-21-15(20-22-23)14-13(12-8-6-5-7-9-12)18-17(25-14)19-16(24)11(2)3/h5-9,11H,4,10H2,1-3H3,(H,18,19,24).
What are the key properties of 2-methyl-N-[4-phenyl-5-(2-propyltetrazol-5-yl)-1,3-thiazol-2-yl]propanamide?
2-methyl-N-[4-phenyl-5-(2-propyltetrazol-5-yl)-1,3-thiazol-2-yl]propanamide has a molecular weight of 356.46 g/mol, XLogP of 3.47, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[4-phenyl-5-(2-propyltetrazol-5-yl)-1,3-thiazol-2-yl]propanamide is sourced from PubChem (CID 11646119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).