N-cyclopentyl-2-[(4R)-4-[(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)methyl]-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-amine

C24H30N6OS — CID 59543033

IUPACN-cyclopentyl-2-[(4R)-4-[(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)methyl]-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-amine
SMILESc1cc(NC2CCCC2)c2[nH]c(C3=N[C@H](Cc4nc(N5CCCCC5)no4)CS3)cc2c1
InChIInChI=1S/C24H30N6OS/c1-4-11-30(12-5-1)24-28-21(31-29-24)14-18-15-32-23(26-18)20-13-16-7-6-10-19(22(16)27-20)25-17-8-2-3-9-17/h6-7,10,13,17-18,25,27H,1-5,8-9,11-12,14-15H2/t18-/m1/s1
InChIKeyKZTYLGGXTGWSJF-GOSISDBHSA-N
MW450.61 g/mol
LogP5.00
Rot. Bonds6

About N-cyclopentyl-2-[(4R)-4-[(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)methyl]-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-amine

N-cyclopentyl-2-[(4R)-4-[(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)methyl]-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-amine (PubChem CID 59543033) has the molecular formula C24H30N6OS and a molecular weight of 450.61 g/mol. Its IUPAC name is N-cyclopentyl-2-[(4R)-4-[(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)methyl]-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-amine.

Molecular Properties

Compound NameN-cyclopentyl-2-[(4R)-4-[(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)methyl]-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-amine
PubChem CID59543033
Molecular FormulaC24H30N6OS
Molecular Weight450.61 g/mol
Exact Mass450.22
IUPAC NameN-cyclopentyl-2-[(4R)-4-[(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)methyl]-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-amine
SMILESc1cc(NC2CCCC2)c2[nH]c(C3=N[C@H](Cc4nc(N5CCCCC5)no4)CS3)cc2c1
InChIInChI=1S/C24H30N6OS/c1-4-11-30(12-5-1)24-28-21(31-29-24)14-18-15-32-23(26-18)20-13-16-7-6-10-19(22(16)27-20)25-17-8-2-3-9-17/h6-7,10,13,17-18,25,27H,1-5,8-9,11-12,14-15H2/t18-/m1/s1
InChIKeyKZTYLGGXTGWSJF-GOSISDBHSA-N
XLogP5.00
TPSA82.34 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.61
LogP ≤ 55.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-cyclopentyl-2-[(4R)-4-[(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)methyl]-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[7-(cyclopentylamino)-1H-indol-2-yl]-N,N,4-trimethyl-5H-1,3-thiazol-4-amine
CID 174605899
[2-[2-[7-(oxan-4-ylmethylamino)-5-phenoxy-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-4-yl]acetyl] 2-[2-[7-(cyclopentylamino)-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-4-yl]acetate
CID 91184365
2-[2-[5-bromo-7-(cyclopentylamino)-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-4-yl]acetic acid
CID 66974222
2-[(4S)-2-[7-(cyclopentylamino)-2-phenyl-1H-indol-5-yl]-4,5-dihydro-1,3-thiazol-4-yl]acetic acid
CID 68635118
3-[(4R)-2-[5-bromo-7-(cyclopentylamino)-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-4-yl]propanoic acid
CID 25195934
5-fluoro-2-[(4R)-4-(2-iodoethyl)-4,5-dihydro-1,3-thiazol-2-yl]-N-(oxan-4-yl)-1H-indol-7-amine
CID 59543019
1-[4-[2-[2-[7-(cyclopentylamino)-5-methoxy-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-4-yl]ethyl]piperazin-1-yl]-2-hydroxyethanone
CID 66974372
2-[(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)methyl]cyclohexan-1-ol
CID 106483235
ethyl 2-[(4R)-2-[7-(cyclopentylamino)-5-fluoro-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-4-yl]acetate
CID 25197049
[(4R)-2-[5-(anilinomethyl)-7-(cyclopentylamino)-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-4-yl]methyl acetate
CID 174722333
1-[2-[2-[5-chloro-7-(oxan-4-ylamino)-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-4-yl]ethyl]piperidine-3-carboxylic acid
CID 66974210
1-[4-[2-[2-[5-fluoro-7-(oxan-4-ylamino)-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-4-yl]ethyl]piperazin-1-yl]-2-hydroxyethanone
CID 66974200

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[(4R)-4-[(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)methyl]-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-amine?
The IUPAC name of N-cyclopentyl-2-[(4R)-4-[(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)methyl]-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-amine (CID 59543033) is N-cyclopentyl-2-[(4R)-4-[(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)methyl]-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-amine.
What is the SMILES notation for N-cyclopentyl-2-[(4R)-4-[(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)methyl]-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-amine?
The canonical SMILES for N-cyclopentyl-2-[(4R)-4-[(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)methyl]-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-amine is c1cc(NC2CCCC2)c2[nH]c(C3=N[C@H](Cc4nc(N5CCCCC5)no4)CS3)cc2c1.
What is the InChIKey of N-cyclopentyl-2-[(4R)-4-[(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)methyl]-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-amine?
The InChIKey is KZTYLGGXTGWSJF-GOSISDBHSA-N. The full InChI is InChI=1S/C24H30N6OS/c1-4-11-30(12-5-1)24-28-21(31-29-24)14-18-15-32-23(26-18)20-13-16-7-6-10-19(22(16)27-20)25-17-8-2-3-9-17/h6-7,10,13,17-18,25,27H,1-5,8-9,11-12,14-15H2/t18-/m1/s1.
What are the key properties of N-cyclopentyl-2-[(4R)-4-[(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)methyl]-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-amine?
N-cyclopentyl-2-[(4R)-4-[(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)methyl]-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-amine has a molecular weight of 450.61 g/mol, XLogP of 5.00, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-[(4R)-4-[(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)methyl]-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-amine is sourced from PubChem (CID 59543033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).