4-(difluoromethyl)-2-methyl-N-[2-(2-methyl-1H-indol-3-yl)ethyl]-1,3-thiazole-5-carboxamide

C17H17F2N3OS — CID 68716231

IUPAC4-(difluoromethyl)-2-methyl-N-[2-(2-methyl-1H-indol-3-yl)ethyl]-1,3-thiazole-5-carboxamide
SMILESCc1nc(C(F)F)c(C(=O)NCCc2c(C)[nH]c3ccccc23)s1
InChIInChI=1S/C17H17F2N3OS/c1-9-11(12-5-3-4-6-13(12)21-9)7-8-20-17(23)15-14(16(18)19)22-10(2)24-15/h3-6,16,21H,7-8H2,1-2H3,(H,20,23)
InChIKeyDCJIDQXWOGRYPK-UHFFFAOYSA-N
MW349.41 g/mol
LogP4.15
Rot. Bonds5

About 4-(difluoromethyl)-2-methyl-N-[2-(2-methyl-1H-indol-3-yl)ethyl]-1,3-thiazole-5-carboxamide

4-(difluoromethyl)-2-methyl-N-[2-(2-methyl-1H-indol-3-yl)ethyl]-1,3-thiazole-5-carboxamide (PubChem CID 68716231) has the molecular formula C17H17F2N3OS and a molecular weight of 349.41 g/mol. Its IUPAC name is 4-(difluoromethyl)-2-methyl-N-[2-(2-methyl-1H-indol-3-yl)ethyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-(difluoromethyl)-2-methyl-N-[2-(2-methyl-1H-indol-3-yl)ethyl]-1,3-thiazole-5-carboxamide
PubChem CID68716231
Molecular FormulaC17H17F2N3OS
Molecular Weight349.41 g/mol
Exact Mass349.11
IUPAC Name4-(difluoromethyl)-2-methyl-N-[2-(2-methyl-1H-indol-3-yl)ethyl]-1,3-thiazole-5-carboxamide
SMILESCc1nc(C(F)F)c(C(=O)NCCc2c(C)[nH]c3ccccc23)s1
InChIInChI=1S/C17H17F2N3OS/c1-9-11(12-5-3-4-6-13(12)21-9)7-8-20-17(23)15-14(16(18)19)22-10(2)24-15/h3-6,16,21H,7-8H2,1-2H3,(H,20,23)
InChIKeyDCJIDQXWOGRYPK-UHFFFAOYSA-N
XLogP4.15
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

2-methyl-N-[2-(2-methyl-1H-indol-3-yl)ethyl]propanamide
CID 110789053
2-(2-methyl-1H-indol-3-yl)ethylcarbamic acid
CID 115171128
2-chloro-N-[2-(2-methyl-1H-indol-3-yl)ethyl]benzamide
CID 54776329
N-[2-(2-methyl-1H-indol-3-yl)ethyl]propanamide
CID 110789052
4-(hydroxymethyl)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]benzamide
CID 54776348
3,5-dimethoxy-N-[2-(2-methyl-1H-indol-3-yl)ethyl]benzamide
CID 110789064
N-[2-(2-methyl-1H-indol-3-yl)ethyl]-3-oxobutanamide
CID 71492148
5-methyl-N-[2-(2-methyl-1H-indol-3-yl)ethyl]-1,3-oxazole-2-carboxamide
CID 112529696
N-[2-(2-methyl-1H-indol-3-yl)ethyl]-6-oxo-1H-pyridine-3-carboxamide
CID 16763802
N-[2-(2-methyl-1H-indol-3-yl)ethyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 110795628
methyl 4-[2-(2-methyl-1H-indol-3-yl)ethylcarbamoyl]pyridine-2-carboxylate
CID 71975738
2-(2-methyl-1H-indol-3-yl)-N-(2-phenylethyl)acetamide
CID 31852687

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-2-methyl-N-[2-(2-methyl-1H-indol-3-yl)ethyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-(difluoromethyl)-2-methyl-N-[2-(2-methyl-1H-indol-3-yl)ethyl]-1,3-thiazole-5-carboxamide (CID 68716231) is 4-(difluoromethyl)-2-methyl-N-[2-(2-methyl-1H-indol-3-yl)ethyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-(difluoromethyl)-2-methyl-N-[2-(2-methyl-1H-indol-3-yl)ethyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-(difluoromethyl)-2-methyl-N-[2-(2-methyl-1H-indol-3-yl)ethyl]-1,3-thiazole-5-carboxamide is Cc1nc(C(F)F)c(C(=O)NCCc2c(C)[nH]c3ccccc23)s1.
What is the InChIKey of 4-(difluoromethyl)-2-methyl-N-[2-(2-methyl-1H-indol-3-yl)ethyl]-1,3-thiazole-5-carboxamide?
The InChIKey is DCJIDQXWOGRYPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2N3OS/c1-9-11(12-5-3-4-6-13(12)21-9)7-8-20-17(23)15-14(16(18)19)22-10(2)24-15/h3-6,16,21H,7-8H2,1-2H3,(H,20,23).
What are the key properties of 4-(difluoromethyl)-2-methyl-N-[2-(2-methyl-1H-indol-3-yl)ethyl]-1,3-thiazole-5-carboxamide?
4-(difluoromethyl)-2-methyl-N-[2-(2-methyl-1H-indol-3-yl)ethyl]-1,3-thiazole-5-carboxamide has a molecular weight of 349.41 g/mol, XLogP of 4.15, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-2-methyl-N-[2-(2-methyl-1H-indol-3-yl)ethyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 68716231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).