2-[2-[5-bromo-7-(cyclopentylamino)-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-4-yl]ethanol

C18H22BrN3OS — CID 66974275

IUPAC2-[2-[5-bromo-7-(cyclopentylamino)-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-4-yl]ethanol
SMILESOCCC1CSC(c2cc3cc(Br)cc(NC4CCCC4)c3[nH]2)=N1
InChIInChI=1S/C18H22BrN3OS/c19-12-7-11-8-16(18-21-14(5-6-23)10-24-18)22-17(11)15(9-12)20-13-3-1-2-4-13/h7-9,13-14,20,22-23H,1-6,10H2
InChIKeySAACNHGJKIZYBW-UHFFFAOYSA-N
MW408.37 g/mol
LogP4.53
Rot. Bonds5

About 2-[2-[5-bromo-7-(cyclopentylamino)-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-4-yl]ethanol

2-[2-[5-bromo-7-(cyclopentylamino)-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-4-yl]ethanol (PubChem CID 66974275) has the molecular formula C18H22BrN3OS and a molecular weight of 408.37 g/mol. Its IUPAC name is 2-[2-[5-bromo-7-(cyclopentylamino)-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-4-yl]ethanol.

Molecular Properties

Compound Name2-[2-[5-bromo-7-(cyclopentylamino)-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-4-yl]ethanol
PubChem CID66974275
Molecular FormulaC18H22BrN3OS
Molecular Weight408.37 g/mol
Exact Mass407.07
IUPAC Name2-[2-[5-bromo-7-(cyclopentylamino)-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-4-yl]ethanol
SMILESOCCC1CSC(c2cc3cc(Br)cc(NC4CCCC4)c3[nH]2)=N1
InChIInChI=1S/C18H22BrN3OS/c19-12-7-11-8-16(18-21-14(5-6-23)10-24-18)22-17(11)15(9-12)20-13-3-1-2-4-13/h7-9,13-14,20,22-23H,1-6,10H2
InChIKeySAACNHGJKIZYBW-UHFFFAOYSA-N
XLogP4.53
TPSA60.41 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.37
LogP ≤ 54.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[2-[5-bromo-7-(cyclopentylamino)-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-4-yl]ethanol 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

3-[(4R)-2-[5-bromo-7-(cyclopentylamino)-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-4-yl]propanoic acid
CID 25195934
2-[2-[5-bromo-7-(cyclopentylamino)-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-4-yl]acetic acid
CID 66974222
N-cyclopentyl-5-fluoro-2-[(4R)-4-(2-iodoethyl)-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-amine
CID 59542947
N-cyclopentyl-5-(methylsulfanylmethyl)-2-(4-propyl-4,5-dihydro-1,3-thiazol-2-yl)-1H-indol-7-amine;ethane
CID 143825658
3-[(4R)-2-[7-(cyclopentylamino)-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-4-yl]propanoic acid
CID 25195935
3-[2-[5-chloro-7-(cyclopentylamino)-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-4-yl]propyl 3-[2-[5-chloro-7-(cyclopentylamino)-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-4-yl]propanoate
CID 90872827
3-[(4R)-2-[5-chloro-7-(cyclopentylamino)-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-4-yl]-1-(4-methylpiperazin-1-yl)propan-1-one
CID 59542954
2-[(4S)-2-[7-(cyclopentylamino)-2-phenyl-1H-indol-5-yl]-4,5-dihydro-1,3-thiazol-4-yl]acetic acid
CID 68635118
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
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
ethyl 2-[(4R)-2-[7-(cyclopentylamino)-5-fluoro-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-4-yl]acetate
CID 25197049
1-[2-[5-chloro-7-(cyclopentylamino)-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-4-yl]-3-(4-methylpiperazin-1-yl)propan-2-one
CID 91301537

Frequently Asked Questions

What is the IUPAC name of 2-[2-[5-bromo-7-(cyclopentylamino)-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-4-yl]ethanol?
The IUPAC name of 2-[2-[5-bromo-7-(cyclopentylamino)-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-4-yl]ethanol (CID 66974275) is 2-[2-[5-bromo-7-(cyclopentylamino)-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-4-yl]ethanol.
What is the SMILES notation for 2-[2-[5-bromo-7-(cyclopentylamino)-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-4-yl]ethanol?
The canonical SMILES for 2-[2-[5-bromo-7-(cyclopentylamino)-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-4-yl]ethanol is OCCC1CSC(c2cc3cc(Br)cc(NC4CCCC4)c3[nH]2)=N1.
What is the InChIKey of 2-[2-[5-bromo-7-(cyclopentylamino)-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-4-yl]ethanol?
The InChIKey is SAACNHGJKIZYBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22BrN3OS/c19-12-7-11-8-16(18-21-14(5-6-23)10-24-18)22-17(11)15(9-12)20-13-3-1-2-4-13/h7-9,13-14,20,22-23H,1-6,10H2.
What are the key properties of 2-[2-[5-bromo-7-(cyclopentylamino)-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-4-yl]ethanol?
2-[2-[5-bromo-7-(cyclopentylamino)-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-4-yl]ethanol has a molecular weight of 408.37 g/mol, XLogP of 4.53, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[5-bromo-7-(cyclopentylamino)-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-4-yl]ethanol is sourced from PubChem (CID 66974275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).