N-[4-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide

C19H20N4O2S — CID 41228240

IUPACN-[4-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide
SMILESO=C(Cc1csc(NC(=O)C2CC2)n1)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C19H20N4O2S/c24-17(9-14-11-26-19(22-14)23-18(25)12-5-6-12)20-8-7-13-10-21-16-4-2-1-3-15(13)16/h1-4,10-12,21H,5-9H2,(H,20,24)(H,22,23,25)
InChIKeyGVYXINGHCMSPPG-UHFFFAOYSA-N
MW368.46 g/mol
LogP2.87
Rot. Bonds7

About N-[4-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide

N-[4-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide (PubChem CID 41228240) has the molecular formula C19H20N4O2S and a molecular weight of 368.46 g/mol. Its IUPAC name is N-[4-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide
PubChem CID41228240
Molecular FormulaC19H20N4O2S
Molecular Weight368.46 g/mol
Exact Mass368.13
IUPAC NameN-[4-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide
SMILESO=C(Cc1csc(NC(=O)C2CC2)n1)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C19H20N4O2S/c24-17(9-14-11-26-19(22-14)23-18(25)12-5-6-12)20-8-7-13-10-21-16-4-2-1-3-15(13)16/h1-4,10-12,21H,5-9H2,(H,20,24)(H,22,23,25)
InChIKeyGVYXINGHCMSPPG-UHFFFAOYSA-N
XLogP2.87
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 52.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[(4-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 16813547
N-[4-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide
CID 35705578
2-(2-ethylsulfanyl-1,3-thiazol-4-yl)-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 50969240
4-hydroxy-N-[2-(1H-indol-3-yl)ethyl]cyclohexane-1-carboxamide
CID 112528864
N-[4-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide
CID 18568275
5-(cyclopropanecarbonylamino)-N-[2-(1H-indol-3-yl)ethyl]-1-phenylpyrazole-3-carboxamide
CID 51998612
(3S)-N-[2-(1H-indol-3-yl)ethyl]-1-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]pyrrolidine-3-carboxamide
CID 92633597
2-[(4-chlorobenzoyl)amino]-N-[2-(1H-indol-3-yl)ethyl]-1,3-thiazole-4-carboxamide
CID 16915177
4-N-cyclopentyl-1-N-[2-(1H-indol-3-yl)ethyl]cyclohexane-1,4-dicarboxamide
CID 109145805
4-N-butan-2-yl-1-N-[2-(1H-indol-3-yl)ethyl]cyclohexane-1,4-dicarboxamide
CID 109145446
N-[2-(1H-indol-3-yl)ethyl]-2-naphthalen-1-ylacetamide
CID 20969018
N-[4-[2-oxo-2-(prop-2-enylamino)ethyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide
CID 27396581

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-[4-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide (CID 41228240) is N-[4-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide is O=C(Cc1csc(NC(=O)C2CC2)n1)NCCc1c[nH]c2ccccc12.
What is the InChIKey of N-[4-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide?
The InChIKey is GVYXINGHCMSPPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2S/c24-17(9-14-11-26-19(22-14)23-18(25)12-5-6-12)20-8-7-13-10-21-16-4-2-1-3-15(13)16/h1-4,10-12,21H,5-9H2,(H,20,24)(H,22,23,25).
What are the key properties of N-[4-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide?
N-[4-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide has a molecular weight of 368.46 g/mol, XLogP of 2.87, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 41228240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).