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

C19H23N3O2S — CID 25195935

IUPAC3-[(4R)-2-[7-(cyclopentylamino)-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-4-yl]propanoic acid
SMILESO=C(O)CC[C@@H]1CSC(c2cc3cccc(NC4CCCC4)c3[nH]2)=N1
InChIInChI=1S/C19H23N3O2S/c23-17(24)9-8-14-11-25-19(21-14)16-10-12-4-3-7-15(18(12)22-16)20-13-5-1-2-6-13/h3-4,7,10,13-14,20,22H,1-2,5-6,8-9,11H2,(H,23,24)/t14-/m1/s1
InChIKeyNUVGUEZXELGIPI-CQSZACIVSA-N
MW357.48 g/mol
LogP4.25
Rot. Bonds6

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

3-[(4R)-2-[7-(cyclopentylamino)-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-4-yl]propanoic acid (PubChem CID 25195935) has the molecular formula C19H23N3O2S and a molecular weight of 357.48 g/mol. Its IUPAC name is 3-[(4R)-2-[7-(cyclopentylamino)-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-4-yl]propanoic acid.

Molecular Properties

Compound Name3-[(4R)-2-[7-(cyclopentylamino)-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-4-yl]propanoic acid
PubChem CID25195935
Molecular FormulaC19H23N3O2S
Molecular Weight357.48 g/mol
Exact Mass357.15
IUPAC Name3-[(4R)-2-[7-(cyclopentylamino)-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-4-yl]propanoic acid
SMILESO=C(O)CC[C@@H]1CSC(c2cc3cccc(NC4CCCC4)c3[nH]2)=N1
InChIInChI=1S/C19H23N3O2S/c23-17(24)9-8-14-11-25-19(21-14)16-10-12-4-3-7-15(18(12)22-16)20-13-5-1-2-6-13/h3-4,7,10,13-14,20,22H,1-2,5-6,8-9,11H2,(H,23,24)/t14-/m1/s1
InChIKeyNUVGUEZXELGIPI-CQSZACIVSA-N
XLogP4.25
TPSA77.48 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.48
LogP ≤ 54.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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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
2-[(4S)-2-[7-(cyclopentylamino)-2-phenyl-1H-indol-5-yl]-4,5-dihydro-1,3-thiazol-4-yl]acetic acid
CID 68635118
N-cyclopentyl-5-fluoro-2-[(4R)-4-(2-iodoethyl)-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-amine
CID 59542947
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
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
[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
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
[(4R)-2-[5-(anilinomethyl)-7-(cyclopentylamino)-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-4-yl]methyl acetate
CID 174722333
2-[7-(cyclopentylamino)-1H-indol-2-yl]-N,N,4-trimethyl-5H-1,3-thiazol-4-amine
CID 174605899
ethyl 2-[(4R)-2-[7-(cyclopentylamino)-5-fluoro-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-4-yl]acetate
CID 25197049
2-[(4S)-2-[7-(oxan-4-ylamino)-5-phenoxy-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-4-yl]acetic acid
CID 25196363

Frequently Asked Questions

What is the IUPAC name of 3-[(4R)-2-[7-(cyclopentylamino)-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-4-yl]propanoic acid?
The IUPAC name of 3-[(4R)-2-[7-(cyclopentylamino)-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-4-yl]propanoic acid (CID 25195935) is 3-[(4R)-2-[7-(cyclopentylamino)-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-4-yl]propanoic acid.
What is the SMILES notation for 3-[(4R)-2-[7-(cyclopentylamino)-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-4-yl]propanoic acid?
The canonical SMILES for 3-[(4R)-2-[7-(cyclopentylamino)-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-4-yl]propanoic acid is O=C(O)CC[C@@H]1CSC(c2cc3cccc(NC4CCCC4)c3[nH]2)=N1.
What is the InChIKey of 3-[(4R)-2-[7-(cyclopentylamino)-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-4-yl]propanoic acid?
The InChIKey is NUVGUEZXELGIPI-CQSZACIVSA-N. The full InChI is InChI=1S/C19H23N3O2S/c23-17(24)9-8-14-11-25-19(21-14)16-10-12-4-3-7-15(18(12)22-16)20-13-5-1-2-6-13/h3-4,7,10,13-14,20,22H,1-2,5-6,8-9,11H2,(H,23,24)/t14-/m1/s1.
What are the key properties of 3-[(4R)-2-[7-(cyclopentylamino)-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-4-yl]propanoic acid?
3-[(4R)-2-[7-(cyclopentylamino)-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-4-yl]propanoic acid has a molecular weight of 357.48 g/mol, XLogP of 4.25, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4R)-2-[7-(cyclopentylamino)-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-4-yl]propanoic acid is sourced from PubChem (CID 25195935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).