5-methoxy-N,1-dimethyl-N-[1-(1,3-thiazol-5-yl)ethyl]indole-2-carboxamide

C17H19N3O2S — CID 70769294

IUPAC5-methoxy-N,1-dimethyl-N-[1-(1,3-thiazol-5-yl)ethyl]indole-2-carboxamide
SMILESCOc1ccc2c(c1)cc(C(=O)N(C)C(C)c1cncs1)n2C
InChIInChI=1S/C17H19N3O2S/c1-11(16-9-18-10-23-16)19(2)17(21)15-8-12-7-13(22-4)5-6-14(12)20(15)3/h5-11H,1-4H3
InChIKeyMXWIWVZNMNYIEI-UHFFFAOYSA-N
MW329.43 g/mol
LogP3.48
Rot. Bonds4

About 5-methoxy-N,1-dimethyl-N-[1-(1,3-thiazol-5-yl)ethyl]indole-2-carboxamide

5-methoxy-N,1-dimethyl-N-[1-(1,3-thiazol-5-yl)ethyl]indole-2-carboxamide (PubChem CID 70769294) has the molecular formula C17H19N3O2S and a molecular weight of 329.43 g/mol. Its IUPAC name is 5-methoxy-N,1-dimethyl-N-[1-(1,3-thiazol-5-yl)ethyl]indole-2-carboxamide.

Molecular Properties

Compound Name5-methoxy-N,1-dimethyl-N-[1-(1,3-thiazol-5-yl)ethyl]indole-2-carboxamide
PubChem CID70769294
Molecular FormulaC17H19N3O2S
Molecular Weight329.43 g/mol
Exact Mass329.12
IUPAC Name5-methoxy-N,1-dimethyl-N-[1-(1,3-thiazol-5-yl)ethyl]indole-2-carboxamide
SMILESCOc1ccc2c(c1)cc(C(=O)N(C)C(C)c1cncs1)n2C
InChIInChI=1S/C17H19N3O2S/c1-11(16-9-18-10-23-16)19(2)17(21)15-8-12-7-13(22-4)5-6-14(12)20(15)3/h5-11H,1-4H3
InChIKeyMXWIWVZNMNYIEI-UHFFFAOYSA-N
XLogP3.48
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.43
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,3-dihydro-1H-inden-2-yl)-5-methoxy-N,1-dimethylindole-2-carboxamide
CID 70756083
N-[2-(dimethylamino)-2-(3-methylthiophen-2-yl)ethyl]-5-methoxy-1-methylindole-2-carboxamide
CID 70719444
(6-methoxynaphthalen-2-yl)-(1,3-thiazol-5-yl)methanol
CID 22018460
N-(1-aminopropan-2-yl)-5-methoxy-1-methylindole-2-carboxamide
CID 110833437
(2S)-2-[(5-methoxy-1-methylindole-2-carbonyl)amino]-3-methylbutanoate
CID 7070170
5-methoxy-1-methyl-N-[(2R)-1-[(5-methyl-1,3-thiazol-2-yl)amino]-1-oxopropan-2-yl]indole-2-carboxamide
CID 51703542
5-methoxy-1-methyl-N-phenylindole-2-carboxamide
CID 10707870
2-anilino-N-methyl-N-[1-(1,3-thiazol-5-yl)ethyl]pyrimidine-5-carboxamide
CID 72894351
N-[[3-(dimethylamino)phenyl]methyl]-5-methoxy-1-methylindole-2-carboxamide
CID 70739975
2-[[2-[(5-methoxy-1-methylindole-2-carbonyl)amino]-4-methylpentanoyl]amino]acetic acid
CID 4837910
N-methyl-N-[(1S)-1-(1,3-thiazol-5-yl)ethyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 97145690
(5-methoxy-1-methylindol-2-yl)-[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 97118078

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-N,1-dimethyl-N-[1-(1,3-thiazol-5-yl)ethyl]indole-2-carboxamide?
The IUPAC name of 5-methoxy-N,1-dimethyl-N-[1-(1,3-thiazol-5-yl)ethyl]indole-2-carboxamide (CID 70769294) is 5-methoxy-N,1-dimethyl-N-[1-(1,3-thiazol-5-yl)ethyl]indole-2-carboxamide.
What is the SMILES notation for 5-methoxy-N,1-dimethyl-N-[1-(1,3-thiazol-5-yl)ethyl]indole-2-carboxamide?
The canonical SMILES for 5-methoxy-N,1-dimethyl-N-[1-(1,3-thiazol-5-yl)ethyl]indole-2-carboxamide is COc1ccc2c(c1)cc(C(=O)N(C)C(C)c1cncs1)n2C.
What is the InChIKey of 5-methoxy-N,1-dimethyl-N-[1-(1,3-thiazol-5-yl)ethyl]indole-2-carboxamide?
The InChIKey is MXWIWVZNMNYIEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2S/c1-11(16-9-18-10-23-16)19(2)17(21)15-8-12-7-13(22-4)5-6-14(12)20(15)3/h5-11H,1-4H3.
What are the key properties of 5-methoxy-N,1-dimethyl-N-[1-(1,3-thiazol-5-yl)ethyl]indole-2-carboxamide?
5-methoxy-N,1-dimethyl-N-[1-(1,3-thiazol-5-yl)ethyl]indole-2-carboxamide has a molecular weight of 329.43 g/mol, XLogP of 3.48, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-N,1-dimethyl-N-[1-(1,3-thiazol-5-yl)ethyl]indole-2-carboxamide is sourced from PubChem (CID 70769294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).