(4R)-2-benzamido-N-[2-(1H-indol-3-yl)ethyl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide

C24H22N4O2S — CID 40945363

IUPAC(4R)-2-benzamido-N-[2-(1H-indol-3-yl)ethyl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide
SMILESO=C(Nc1nc2c(s1)CC[C@H]2C(=O)NCCc1c[nH]c2ccccc12)c1ccccc1
InChIInChI=1S/C24H22N4O2S/c29-22(15-6-2-1-3-7-15)28-24-27-21-18(10-11-20(21)31-24)23(30)25-13-12-16-14-26-19-9-5-4-8-17(16)19/h1-9,14,18,26H,10-13H2,(H,25,30)(H,27,28,29)/t18-/m1/s1
InChIKeyHUKYVSPVSBHGND-GOSISDBHSA-N
MW430.53 g/mol
LogP4.27
Rot. Bonds6

About (4R)-2-benzamido-N-[2-(1H-indol-3-yl)ethyl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide

(4R)-2-benzamido-N-[2-(1H-indol-3-yl)ethyl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide (PubChem CID 40945363) has the molecular formula C24H22N4O2S and a molecular weight of 430.53 g/mol. Its IUPAC name is (4R)-2-benzamido-N-[2-(1H-indol-3-yl)ethyl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide.

Molecular Properties

Compound Name(4R)-2-benzamido-N-[2-(1H-indol-3-yl)ethyl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide
PubChem CID40945363
Molecular FormulaC24H22N4O2S
Molecular Weight430.53 g/mol
Exact Mass430.15
IUPAC Name(4R)-2-benzamido-N-[2-(1H-indol-3-yl)ethyl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide
SMILESO=C(Nc1nc2c(s1)CC[C@H]2C(=O)NCCc1c[nH]c2ccccc12)c1ccccc1
InChIInChI=1S/C24H22N4O2S/c29-22(15-6-2-1-3-7-15)28-24-27-21-18(10-11-20(21)31-24)23(30)25-13-12-16-14-26-19-9-5-4-8-17(16)19/h1-9,14,18,26H,10-13H2,(H,25,30)(H,27,28,29)/t18-/m1/s1
InChIKeyHUKYVSPVSBHGND-GOSISDBHSA-N
XLogP4.27
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.53
LogP ≤ 54.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(4S)-2-benzamido-N-(2-phenylethyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide
CID 40945181
2-benzamido-N-ethyl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide
CID 16947039
(4R)-2-benzamido-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylic acid
CID 42281824
2-benzamido-N-(1,3-benzothiazol-2-yl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide
CID 16947134
2-benzamido-N-naphthalen-1-yl-4,5,6,7-tetrahydro-1,3-benzothiazole-4-carboxamide
CID 16945302
(4R)-2-(1,3-benzodioxole-5-carbonylamino)-N-(2-phenylethyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-4-carboxamide
CID 40936000
N-[4-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide
CID 41228240
2-[(4-chlorobenzoyl)amino]-N-phenyl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide
CID 16947395
1-N,4-N-bis[2-(1H-indol-3-yl)ethyl]benzene-1,4-dicarboxamide
CID 42988811
1-N-[2-(1H-indol-3-yl)ethyl]-2-N-(2-phenylethyl)cyclopropane-1,2-dicarboxamide
CID 109137338
2-[(4-chlorobenzoyl)amino]-N-[2-(1H-indol-3-yl)ethyl]-1,3-thiazole-4-carboxamide
CID 16915177
4-hydroxy-N-[2-(1H-indol-3-yl)ethyl]cyclohexane-1-carboxamide
CID 112528864

Frequently Asked Questions

What is the IUPAC name of (4R)-2-benzamido-N-[2-(1H-indol-3-yl)ethyl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide?
The IUPAC name of (4R)-2-benzamido-N-[2-(1H-indol-3-yl)ethyl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide (CID 40945363) is (4R)-2-benzamido-N-[2-(1H-indol-3-yl)ethyl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide.
What is the SMILES notation for (4R)-2-benzamido-N-[2-(1H-indol-3-yl)ethyl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide?
The canonical SMILES for (4R)-2-benzamido-N-[2-(1H-indol-3-yl)ethyl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide is O=C(Nc1nc2c(s1)CC[C@H]2C(=O)NCCc1c[nH]c2ccccc12)c1ccccc1.
What is the InChIKey of (4R)-2-benzamido-N-[2-(1H-indol-3-yl)ethyl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide?
The InChIKey is HUKYVSPVSBHGND-GOSISDBHSA-N. The full InChI is InChI=1S/C24H22N4O2S/c29-22(15-6-2-1-3-7-15)28-24-27-21-18(10-11-20(21)31-24)23(30)25-13-12-16-14-26-19-9-5-4-8-17(16)19/h1-9,14,18,26H,10-13H2,(H,25,30)(H,27,28,29)/t18-/m1/s1.
What are the key properties of (4R)-2-benzamido-N-[2-(1H-indol-3-yl)ethyl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide?
(4R)-2-benzamido-N-[2-(1H-indol-3-yl)ethyl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide has a molecular weight of 430.53 g/mol, XLogP of 4.27, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2-benzamido-N-[2-(1H-indol-3-yl)ethyl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide is sourced from PubChem (CID 40945363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).