N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2,3-dihydro-1H-indole-5-carboxamide

C15H17N3OS — CID 61474388

IUPACN-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2,3-dihydro-1H-indole-5-carboxamide
SMILESCCc1nc(NC(=O)c2ccc3c(c2)CCN3)sc1C
InChIInChI=1S/C15H17N3OS/c1-3-12-9(2)20-15(17-12)18-14(19)11-4-5-13-10(8-11)6-7-16-13/h4-5,8,16H,3,6-7H2,1-2H3,(H,17,18,19)
InChIKeyPFHJUNXTRIPOGN-UHFFFAOYSA-N
MW287.39 g/mol
LogP3.23
Rot. Bonds3

About N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2,3-dihydro-1H-indole-5-carboxamide

N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2,3-dihydro-1H-indole-5-carboxamide (PubChem CID 61474388) has the molecular formula C15H17N3OS and a molecular weight of 287.39 g/mol. Its IUPAC name is N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2,3-dihydro-1H-indole-5-carboxamide.

Molecular Properties

Compound NameN-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2,3-dihydro-1H-indole-5-carboxamide
PubChem CID61474388
Molecular FormulaC15H17N3OS
Molecular Weight287.39 g/mol
Exact Mass287.11
IUPAC NameN-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2,3-dihydro-1H-indole-5-carboxamide
SMILESCCc1nc(NC(=O)c2ccc3c(c2)CCN3)sc1C
InChIInChI=1S/C15H17N3OS/c1-3-12-9(2)20-15(17-12)18-14(19)11-4-5-13-10(8-11)6-7-16-13/h4-5,8,16H,3,6-7H2,1-2H3,(H,17,18,19)
InChIKeyPFHJUNXTRIPOGN-UHFFFAOYSA-N
XLogP3.23
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.39
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2,3-dihydro-1H-indole-5-carboxamide?
The IUPAC name of N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2,3-dihydro-1H-indole-5-carboxamide (CID 61474388) is N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2,3-dihydro-1H-indole-5-carboxamide.
What is the SMILES notation for N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2,3-dihydro-1H-indole-5-carboxamide?
The canonical SMILES for N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2,3-dihydro-1H-indole-5-carboxamide is CCc1nc(NC(=O)c2ccc3c(c2)CCN3)sc1C.
What is the InChIKey of N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2,3-dihydro-1H-indole-5-carboxamide?
The InChIKey is PFHJUNXTRIPOGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3OS/c1-3-12-9(2)20-15(17-12)18-14(19)11-4-5-13-10(8-11)6-7-16-13/h4-5,8,16H,3,6-7H2,1-2H3,(H,17,18,19).
What are the key properties of N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2,3-dihydro-1H-indole-5-carboxamide?
N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2,3-dihydro-1H-indole-5-carboxamide has a molecular weight of 287.39 g/mol, XLogP of 3.23, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2,3-dihydro-1H-indole-5-carboxamide is sourced from PubChem (CID 61474388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).