2-[(4R)-2-[7-(cyclopentylamino)-5-methyl-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-4-yl]acetic acid

C19H23N3O2S — CID 25195604

IUPAC2-[(4R)-2-[7-(cyclopentylamino)-5-methyl-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-4-yl]acetic acid
SMILESCc1cc(NC2CCCC2)c2[nH]c(C3=N[C@H](CC(=O)O)CS3)cc2c1
InChIInChI=1S/C19H23N3O2S/c1-11-6-12-8-16(19-21-14(10-25-19)9-17(23)24)22-18(12)15(7-11)20-13-4-2-3-5-13/h6-8,13-14,20,22H,2-5,9-10H2,1H3,(H,23,24)/t14-/m1/s1
InChIKeyFSZRYQNVPUUJJA-CQSZACIVSA-N
MW357.48 g/mol
LogP4.17
Rot. Bonds5

About 2-[(4R)-2-[7-(cyclopentylamino)-5-methyl-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-4-yl]acetic acid

2-[(4R)-2-[7-(cyclopentylamino)-5-methyl-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-4-yl]acetic acid (PubChem CID 25195604) has the molecular formula C19H23N3O2S and a molecular weight of 357.48 g/mol. Its IUPAC name is 2-[(4R)-2-[7-(cyclopentylamino)-5-methyl-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[(4R)-2-[7-(cyclopentylamino)-5-methyl-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-4-yl]acetic acid
PubChem CID25195604
Molecular FormulaC19H23N3O2S
Molecular Weight357.48 g/mol
Exact Mass357.15
IUPAC Name2-[(4R)-2-[7-(cyclopentylamino)-5-methyl-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-4-yl]acetic acid
SMILESCc1cc(NC2CCCC2)c2[nH]c(C3=N[C@H](CC(=O)O)CS3)cc2c1
InChIInChI=1S/C19H23N3O2S/c1-11-6-12-8-16(19-21-14(10-25-19)9-17(23)24)22-18(12)15(7-11)20-13-4-2-3-5-13/h6-8,13-14,20,22H,2-5,9-10H2,1H3,(H,23,24)/t14-/m1/s1
InChIKeyFSZRYQNVPUUJJA-CQSZACIVSA-N
XLogP4.17
TPSA77.48 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.48
LogP ≤ 54.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(4R)-2-[7-(cyclopentylamino)-5-methyl-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-4-yl]acetic acid?
The IUPAC name of 2-[(4R)-2-[7-(cyclopentylamino)-5-methyl-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-4-yl]acetic acid (CID 25195604) is 2-[(4R)-2-[7-(cyclopentylamino)-5-methyl-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-4-yl]acetic acid.
What is the SMILES notation for 2-[(4R)-2-[7-(cyclopentylamino)-5-methyl-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-4-yl]acetic acid?
The canonical SMILES for 2-[(4R)-2-[7-(cyclopentylamino)-5-methyl-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-4-yl]acetic acid is Cc1cc(NC2CCCC2)c2[nH]c(C3=N[C@H](CC(=O)O)CS3)cc2c1.
What is the InChIKey of 2-[(4R)-2-[7-(cyclopentylamino)-5-methyl-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-4-yl]acetic acid?
The InChIKey is FSZRYQNVPUUJJA-CQSZACIVSA-N. The full InChI is InChI=1S/C19H23N3O2S/c1-11-6-12-8-16(19-21-14(10-25-19)9-17(23)24)22-18(12)15(7-11)20-13-4-2-3-5-13/h6-8,13-14,20,22H,2-5,9-10H2,1H3,(H,23,24)/t14-/m1/s1.
What are the key properties of 2-[(4R)-2-[7-(cyclopentylamino)-5-methyl-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-4-yl]acetic acid?
2-[(4R)-2-[7-(cyclopentylamino)-5-methyl-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-4-yl]acetic acid has a molecular weight of 357.48 g/mol, XLogP of 4.17, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4R)-2-[7-(cyclopentylamino)-5-methyl-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-4-yl]acetic acid is sourced from PubChem (CID 25195604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).