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

C25H35N5O3S — CID 66974372

IUPAC1-[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
SMILESCOc1cc(NC2CCCC2)c2[nH]c(C3=NC(CCN4CCN(C(=O)CO)CC4)CS3)cc2c1
InChIInChI=1S/C25H35N5O3S/c1-33-20-12-17-13-22(28-24(17)21(14-20)26-18-4-2-3-5-18)25-27-19(16-34-25)6-7-29-8-10-30(11-9-29)23(32)15-31/h12-14,18-19,26,28,31H,2-11,15-16H2,1H3
InChIKeyBOPWVEFNKJHQRB-UHFFFAOYSA-N
MW485.65 g/mol
LogP2.92
Rot. Bonds8

About 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

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 (PubChem CID 66974372) has the molecular formula C25H35N5O3S and a molecular weight of 485.65 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-[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
PubChem CID66974372
Molecular FormulaC25H35N5O3S
Molecular Weight485.65 g/mol
Exact Mass485.25
IUPAC Name1-[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
SMILESCOc1cc(NC2CCCC2)c2[nH]c(C3=NC(CCN4CCN(C(=O)CO)CC4)CS3)cc2c1
InChIInChI=1S/C25H35N5O3S/c1-33-20-12-17-13-22(28-24(17)21(14-20)26-18-4-2-3-5-18)25-27-19(16-34-25)6-7-29-8-10-30(11-9-29)23(32)15-31/h12-14,18-19,26,28,31H,2-11,15-16H2,1H3
InChIKeyBOPWVEFNKJHQRB-UHFFFAOYSA-N
XLogP2.92
TPSA93.19 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.65
LogP ≤ 52.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COc1cc(NC2CCCC2)c2[nH]c(C3=NC(CCN4CCN(C(=O)CO)CC4)CS3)cc2c1.
What is the InChIKey of 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?
The InChIKey is BOPWVEFNKJHQRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N5O3S/c1-33-20-12-17-13-22(28-24(17)21(14-20)26-18-4-2-3-5-18)25-27-19(16-34-25)6-7-29-8-10-30(11-9-29)23(32)15-31/h12-14,18-19,26,28,31H,2-11,15-16H2,1H3.
What are the key properties of 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?
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 has a molecular weight of 485.65 g/mol, XLogP of 2.92, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 66974372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).