3-(2-amino-4-thiophen-2-yl-1,3-thiazol-5-yl)-N-[2-(1H-indol-3-yl)ethyl]propanamide

C20H20N4OS2 — CID 110412313

IUPAC3-(2-amino-4-thiophen-2-yl-1,3-thiazol-5-yl)-N-[2-(1H-indol-3-yl)ethyl]propanamide
SMILESNc1nc(-c2cccs2)c(CCC(=O)NCCc2c[nH]c3ccccc23)s1
InChIInChI=1S/C20H20N4OS2/c21-20-24-19(16-6-3-11-26-16)17(27-20)7-8-18(25)22-10-9-13-12-23-15-5-2-1-4-14(13)15/h1-6,11-12,23H,7-10H2,(H2,21,24)(H,22,25)
InChIKeyVJOIDNDUPFNBKV-UHFFFAOYSA-N
MW396.54 g/mol
LogP4.23
Rot. Bonds7

About 3-(2-amino-4-thiophen-2-yl-1,3-thiazol-5-yl)-N-[2-(1H-indol-3-yl)ethyl]propanamide

3-(2-amino-4-thiophen-2-yl-1,3-thiazol-5-yl)-N-[2-(1H-indol-3-yl)ethyl]propanamide (PubChem CID 110412313) has the molecular formula C20H20N4OS2 and a molecular weight of 396.54 g/mol. Its IUPAC name is 3-(2-amino-4-thiophen-2-yl-1,3-thiazol-5-yl)-N-[2-(1H-indol-3-yl)ethyl]propanamide.

Molecular Properties

Compound Name3-(2-amino-4-thiophen-2-yl-1,3-thiazol-5-yl)-N-[2-(1H-indol-3-yl)ethyl]propanamide
PubChem CID110412313
Molecular FormulaC20H20N4OS2
Molecular Weight396.54 g/mol
Exact Mass396.11
IUPAC Name3-(2-amino-4-thiophen-2-yl-1,3-thiazol-5-yl)-N-[2-(1H-indol-3-yl)ethyl]propanamide
SMILESNc1nc(-c2cccs2)c(CCC(=O)NCCc2c[nH]c3ccccc23)s1
InChIInChI=1S/C20H20N4OS2/c21-20-24-19(16-6-3-11-26-16)17(27-20)7-8-18(25)22-10-9-13-12-23-15-5-2-1-4-14(13)15/h1-6,11-12,23H,7-10H2,(H2,21,24)(H,22,25)
InChIKeyVJOIDNDUPFNBKV-UHFFFAOYSA-N
XLogP4.23
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.54
LogP ≤ 54.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-(1H-indol-3-yl)-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 10664257
3-(2-amino-4-thiophen-2-yl-1,3-thiazol-5-yl)-N-[2-(3-methylphenyl)ethyl]propanamide
CID 110627746
3-(2-amino-4-thiophen-2-yl-1,3-thiazol-5-yl)-N-(4-methoxybutyl)propanamide
CID 110610116
N-[2-(1H-indol-3-yl)ethyl]-3-(4-methyl-1,3-thiazol-5-yl)propanamide
CID 74246486
3-(4-aminophenyl)-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 28712929
3-(2-amino-4-thiophen-2-yl-1,3-thiazol-5-yl)-N-[(1-hydroxycyclopentyl)methyl]propanamide
CID 110626452
3-(1H-indol-3-yl)-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]propanamide
CID 50980648
3-chloro-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 588711
3-(1H-indol-3-yl)-N-(2-sulfamoylethyl)propanamide
CID 43582891
6-amino-N-[2-(1H-indol-3-yl)ethyl]hexanamide
CID 61259839
4-[2-(1H-indol-3-yl)ethylamino]-4-oxobutanoate
CID 7019224
N-[2-(1H-indol-3-yl)ethyl]thiophene-2-carboxamide;oxalic acid
CID 17365887

Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-4-thiophen-2-yl-1,3-thiazol-5-yl)-N-[2-(1H-indol-3-yl)ethyl]propanamide?
The IUPAC name of 3-(2-amino-4-thiophen-2-yl-1,3-thiazol-5-yl)-N-[2-(1H-indol-3-yl)ethyl]propanamide (CID 110412313) is 3-(2-amino-4-thiophen-2-yl-1,3-thiazol-5-yl)-N-[2-(1H-indol-3-yl)ethyl]propanamide.
What is the SMILES notation for 3-(2-amino-4-thiophen-2-yl-1,3-thiazol-5-yl)-N-[2-(1H-indol-3-yl)ethyl]propanamide?
The canonical SMILES for 3-(2-amino-4-thiophen-2-yl-1,3-thiazol-5-yl)-N-[2-(1H-indol-3-yl)ethyl]propanamide is Nc1nc(-c2cccs2)c(CCC(=O)NCCc2c[nH]c3ccccc23)s1.
What is the InChIKey of 3-(2-amino-4-thiophen-2-yl-1,3-thiazol-5-yl)-N-[2-(1H-indol-3-yl)ethyl]propanamide?
The InChIKey is VJOIDNDUPFNBKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4OS2/c21-20-24-19(16-6-3-11-26-16)17(27-20)7-8-18(25)22-10-9-13-12-23-15-5-2-1-4-14(13)15/h1-6,11-12,23H,7-10H2,(H2,21,24)(H,22,25).
What are the key properties of 3-(2-amino-4-thiophen-2-yl-1,3-thiazol-5-yl)-N-[2-(1H-indol-3-yl)ethyl]propanamide?
3-(2-amino-4-thiophen-2-yl-1,3-thiazol-5-yl)-N-[2-(1H-indol-3-yl)ethyl]propanamide has a molecular weight of 396.54 g/mol, XLogP of 4.23, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-4-thiophen-2-yl-1,3-thiazol-5-yl)-N-[2-(1H-indol-3-yl)ethyl]propanamide is sourced from PubChem (CID 110412313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).