N,2,4-trimethyl-N-[(2-propoxynaphthalen-1-yl)methyl]-1,3-thiazole-5-carboxamide

C21H24N2O2S — CID 39965461

IUPACN,2,4-trimethyl-N-[(2-propoxynaphthalen-1-yl)methyl]-1,3-thiazole-5-carboxamide
SMILESCCCOc1ccc2ccccc2c1CN(C)C(=O)c1sc(C)nc1C
InChIInChI=1S/C21H24N2O2S/c1-5-12-25-19-11-10-16-8-6-7-9-17(16)18(19)13-23(4)21(24)20-14(2)22-15(3)26-20/h6-11H,5,12-13H2,1-4H3
InChIKeyIVLIYSRAFGUIIF-UHFFFAOYSA-N
MW368.50 g/mol
LogP4.97
Rot. Bonds6

About N,2,4-trimethyl-N-[(2-propoxynaphthalen-1-yl)methyl]-1,3-thiazole-5-carboxamide

N,2,4-trimethyl-N-[(2-propoxynaphthalen-1-yl)methyl]-1,3-thiazole-5-carboxamide (PubChem CID 39965461) has the molecular formula C21H24N2O2S and a molecular weight of 368.50 g/mol. Its IUPAC name is N,2,4-trimethyl-N-[(2-propoxynaphthalen-1-yl)methyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN,2,4-trimethyl-N-[(2-propoxynaphthalen-1-yl)methyl]-1,3-thiazole-5-carboxamide
PubChem CID39965461
Molecular FormulaC21H24N2O2S
Molecular Weight368.50 g/mol
Exact Mass368.16
IUPAC NameN,2,4-trimethyl-N-[(2-propoxynaphthalen-1-yl)methyl]-1,3-thiazole-5-carboxamide
SMILESCCCOc1ccc2ccccc2c1CN(C)C(=O)c1sc(C)nc1C
InChIInChI=1S/C21H24N2O2S/c1-5-12-25-19-11-10-16-8-6-7-9-17(16)18(19)13-23(4)21(24)20-14(2)22-15(3)26-20/h6-11H,5,12-13H2,1-4H3
InChIKeyIVLIYSRAFGUIIF-UHFFFAOYSA-N
XLogP4.97
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.50
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N,2,4-trimethyl-N-[(2-propoxynaphthalen-1-yl)methyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of N,2,4-trimethyl-N-[(2-propoxynaphthalen-1-yl)methyl]-1,3-thiazole-5-carboxamide (CID 39965461) is N,2,4-trimethyl-N-[(2-propoxynaphthalen-1-yl)methyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N,2,4-trimethyl-N-[(2-propoxynaphthalen-1-yl)methyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for N,2,4-trimethyl-N-[(2-propoxynaphthalen-1-yl)methyl]-1,3-thiazole-5-carboxamide is CCCOc1ccc2ccccc2c1CN(C)C(=O)c1sc(C)nc1C.
What is the InChIKey of N,2,4-trimethyl-N-[(2-propoxynaphthalen-1-yl)methyl]-1,3-thiazole-5-carboxamide?
The InChIKey is IVLIYSRAFGUIIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O2S/c1-5-12-25-19-11-10-16-8-6-7-9-17(16)18(19)13-23(4)21(24)20-14(2)22-15(3)26-20/h6-11H,5,12-13H2,1-4H3.
What are the key properties of N,2,4-trimethyl-N-[(2-propoxynaphthalen-1-yl)methyl]-1,3-thiazole-5-carboxamide?
N,2,4-trimethyl-N-[(2-propoxynaphthalen-1-yl)methyl]-1,3-thiazole-5-carboxamide has a molecular weight of 368.50 g/mol, XLogP of 4.97, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,4-trimethyl-N-[(2-propoxynaphthalen-1-yl)methyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 39965461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).