N,3,5,7-tetramethyl-N-[(1S)-1-(1,3-thiazol-5-yl)ethyl]-1H-indole-2-carboxamide

C18H21N3OS — CID 97113138

IUPACN,3,5,7-tetramethyl-N-[(1S)-1-(1,3-thiazol-5-yl)ethyl]-1H-indole-2-carboxamide
SMILESCc1cc(C)c2[nH]c(C(=O)N(C)[C@@H](C)c3cncs3)c(C)c2c1
InChIInChI=1S/C18H21N3OS/c1-10-6-11(2)16-14(7-10)12(3)17(20-16)18(22)21(5)13(4)15-8-19-9-23-15/h6-9,13,20H,1-5H3/t13-/m0/s1
InChIKeyLTQZCXSZROWHBA-ZDUSSCGKSA-N
MW327.45 g/mol
LogP4.38
Rot. Bonds3

About N,3,5,7-tetramethyl-N-[(1S)-1-(1,3-thiazol-5-yl)ethyl]-1H-indole-2-carboxamide

N,3,5,7-tetramethyl-N-[(1S)-1-(1,3-thiazol-5-yl)ethyl]-1H-indole-2-carboxamide (PubChem CID 97113138) has the molecular formula C18H21N3OS and a molecular weight of 327.45 g/mol. Its IUPAC name is N,3,5,7-tetramethyl-N-[(1S)-1-(1,3-thiazol-5-yl)ethyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN,3,5,7-tetramethyl-N-[(1S)-1-(1,3-thiazol-5-yl)ethyl]-1H-indole-2-carboxamide
PubChem CID97113138
Molecular FormulaC18H21N3OS
Molecular Weight327.45 g/mol
Exact Mass327.14
IUPAC NameN,3,5,7-tetramethyl-N-[(1S)-1-(1,3-thiazol-5-yl)ethyl]-1H-indole-2-carboxamide
SMILESCc1cc(C)c2[nH]c(C(=O)N(C)[C@@H](C)c3cncs3)c(C)c2c1
InChIInChI=1S/C18H21N3OS/c1-10-6-11(2)16-14(7-10)12(3)17(20-16)18(22)21(5)13(4)15-8-19-9-23-15/h6-9,13,20H,1-5H3/t13-/m0/s1
InChIKeyLTQZCXSZROWHBA-ZDUSSCGKSA-N
XLogP4.38
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.45
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N,2,6,8-tetramethyl-N-[1-(1,3-thiazol-5-yl)ethyl]quinoline-4-carboxamide
CID 70713626
N,3,5,7-tetramethyl-N-[(1S)-1-pyridin-3-ylpropyl]-1H-indole-2-carboxamide
CID 97113366
N-methyl-2-oxo-N-[(1S)-1-(1,3-thiazol-5-yl)ethyl]-1H-quinoline-4-carboxamide
CID 97115532
N-methyl-5-propyl-N-[(1S)-1-(1,3-thiazol-5-yl)ethyl]-1H-pyrazole-3-carboxamide
CID 97115981
N-[2-(1-hydroxycyclopentyl)ethyl]-N,3,5,7-tetramethyl-1H-indole-2-carboxamide
CID 70730450
N-[1-(1,3-thiazol-5-yl)propan-2-yl]-2-(2,5,7-trimethyl-1H-indol-3-yl)acetamide
CID 70774748
N-methyl-N-[(1S)-1-(1,3-thiazol-5-yl)ethyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 97145690
N-[(2R)-2-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-3,5,7-trimethyl-1H-indole-2-carboxamide
CID 51498035
2-anilino-N-methyl-N-[1-(1,3-thiazol-5-yl)ethyl]pyrimidine-5-carboxamide
CID 72894351
5-methoxy-N,1-dimethyl-N-[1-(1,3-thiazol-5-yl)ethyl]indole-2-carboxamide
CID 70769294
N-methyl-N-[1-(1,3-thiazol-5-yl)ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 70767354
N-[(4-fluorophenyl)methyl]-N-(2-hydroxyethyl)-3,5,7-trimethyl-1H-indole-2-carboxamide
CID 70728180

Frequently Asked Questions

What is the IUPAC name of N,3,5,7-tetramethyl-N-[(1S)-1-(1,3-thiazol-5-yl)ethyl]-1H-indole-2-carboxamide?
The IUPAC name of N,3,5,7-tetramethyl-N-[(1S)-1-(1,3-thiazol-5-yl)ethyl]-1H-indole-2-carboxamide (CID 97113138) is N,3,5,7-tetramethyl-N-[(1S)-1-(1,3-thiazol-5-yl)ethyl]-1H-indole-2-carboxamide.
What is the SMILES notation for N,3,5,7-tetramethyl-N-[(1S)-1-(1,3-thiazol-5-yl)ethyl]-1H-indole-2-carboxamide?
The canonical SMILES for N,3,5,7-tetramethyl-N-[(1S)-1-(1,3-thiazol-5-yl)ethyl]-1H-indole-2-carboxamide is Cc1cc(C)c2[nH]c(C(=O)N(C)[C@@H](C)c3cncs3)c(C)c2c1.
What is the InChIKey of N,3,5,7-tetramethyl-N-[(1S)-1-(1,3-thiazol-5-yl)ethyl]-1H-indole-2-carboxamide?
The InChIKey is LTQZCXSZROWHBA-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H21N3OS/c1-10-6-11(2)16-14(7-10)12(3)17(20-16)18(22)21(5)13(4)15-8-19-9-23-15/h6-9,13,20H,1-5H3/t13-/m0/s1.
What are the key properties of N,3,5,7-tetramethyl-N-[(1S)-1-(1,3-thiazol-5-yl)ethyl]-1H-indole-2-carboxamide?
N,3,5,7-tetramethyl-N-[(1S)-1-(1,3-thiazol-5-yl)ethyl]-1H-indole-2-carboxamide has a molecular weight of 327.45 g/mol, XLogP of 4.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,3,5,7-tetramethyl-N-[(1S)-1-(1,3-thiazol-5-yl)ethyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 97113138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).