methylamino N-[[6-[[4-butyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]-2-methyl-3-pyridinyl]methyl]carbamate

C24H27F3N4O3S — CID 162553934

IUPACmethylamino N-[[6-[[4-butyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]-2-methyl-3-pyridinyl]methyl]carbamate
SMILESCCCCc1nc(-c2ccc(C(F)(F)F)cc2)sc1COc1ccc(CNC(=O)ONC)c(C)n1
InChIInChI=1S/C24H27F3N4O3S/c1-4-5-6-19-20(35-22(31-19)16-7-10-18(11-8-16)24(25,26)27)14-33-21-12-9-17(15(2)30-21)13-29-23(32)34-28-3/h7-12,28H,4-6,13-14H2,1-3H3,(H,29,32)
InChIKeyIDBDIUPRPBDIRQ-UHFFFAOYSA-N
MW508.57 g/mol
LogP5.81
Rot. Bonds10

About methylamino N-[[6-[[4-butyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]-2-methyl-3-pyridinyl]methyl]carbamate

methylamino N-[[6-[[4-butyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]-2-methyl-3-pyridinyl]methyl]carbamate (PubChem CID 162553934) has the molecular formula C24H27F3N4O3S and a molecular weight of 508.57 g/mol. Its IUPAC name is methylamino N-[[6-[[4-butyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]-2-methyl-3-pyridinyl]methyl]carbamate.

Molecular Properties

Compound Namemethylamino N-[[6-[[4-butyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]-2-methyl-3-pyridinyl]methyl]carbamate
PubChem CID162553934
Molecular FormulaC24H27F3N4O3S
Molecular Weight508.57 g/mol
Exact Mass508.18
IUPAC Namemethylamino N-[[6-[[4-butyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]-2-methyl-3-pyridinyl]methyl]carbamate
SMILESCCCCc1nc(-c2ccc(C(F)(F)F)cc2)sc1COc1ccc(CNC(=O)ONC)c(C)n1
InChIInChI=1S/C24H27F3N4O3S/c1-4-5-6-19-20(35-22(31-19)16-7-10-18(11-8-16)24(25,26)27)14-33-21-12-9-17(15(2)30-21)13-29-23(32)34-28-3/h7-12,28H,4-6,13-14H2,1-3H3,(H,29,32)
InChIKeyIDBDIUPRPBDIRQ-UHFFFAOYSA-N
XLogP5.81
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.57
LogP ≤ 55.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methylamino N-[[6-[[4-butyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]-2-methyl-3-pyridinyl]methyl]carbamate?
The IUPAC name of methylamino N-[[6-[[4-butyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]-2-methyl-3-pyridinyl]methyl]carbamate (CID 162553934) is methylamino N-[[6-[[4-butyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]-2-methyl-3-pyridinyl]methyl]carbamate.
What is the SMILES notation for methylamino N-[[6-[[4-butyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]-2-methyl-3-pyridinyl]methyl]carbamate?
The canonical SMILES for methylamino N-[[6-[[4-butyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]-2-methyl-3-pyridinyl]methyl]carbamate is CCCCc1nc(-c2ccc(C(F)(F)F)cc2)sc1COc1ccc(CNC(=O)ONC)c(C)n1.
What is the InChIKey of methylamino N-[[6-[[4-butyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]-2-methyl-3-pyridinyl]methyl]carbamate?
The InChIKey is IDBDIUPRPBDIRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27F3N4O3S/c1-4-5-6-19-20(35-22(31-19)16-7-10-18(11-8-16)24(25,26)27)14-33-21-12-9-17(15(2)30-21)13-29-23(32)34-28-3/h7-12,28H,4-6,13-14H2,1-3H3,(H,29,32).
What are the key properties of methylamino N-[[6-[[4-butyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]-2-methyl-3-pyridinyl]methyl]carbamate?
methylamino N-[[6-[[4-butyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]-2-methyl-3-pyridinyl]methyl]carbamate has a molecular weight of 508.57 g/mol, XLogP of 5.81, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methylamino N-[[6-[[4-butyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]-2-methyl-3-pyridinyl]methyl]carbamate is sourced from PubChem (CID 162553934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).