[(4R)-2-[5-fluoro-7-[(1-methylcyclopentyl)amino]-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-4-yl]methanol

C18H22FN3OS — CID 25196714

IUPAC[(4R)-2-[5-fluoro-7-[(1-methylcyclopentyl)amino]-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-4-yl]methanol
SMILESCC1(Nc2cc(F)cc3cc(C4=N[C@H](CO)CS4)[nH]c23)CCCC1
InChIInChI=1S/C18H22FN3OS/c1-18(4-2-3-5-18)22-14-8-12(19)6-11-7-15(21-16(11)14)17-20-13(9-23)10-24-17/h6-8,13,21-23H,2-5,9-10H2,1H3/t13-/m1/s1
InChIKeyZEOBGYZBDRWBKN-CYBMUJFWSA-N
MW347.46 g/mol
LogP3.91
Rot. Bonds4

About [(4R)-2-[5-fluoro-7-[(1-methylcyclopentyl)amino]-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-4-yl]methanol

[(4R)-2-[5-fluoro-7-[(1-methylcyclopentyl)amino]-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-4-yl]methanol (PubChem CID 25196714) has the molecular formula C18H22FN3OS and a molecular weight of 347.46 g/mol. Its IUPAC name is [(4R)-2-[5-fluoro-7-[(1-methylcyclopentyl)amino]-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-4-yl]methanol.

Molecular Properties

Compound Name[(4R)-2-[5-fluoro-7-[(1-methylcyclopentyl)amino]-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-4-yl]methanol
PubChem CID25196714
Molecular FormulaC18H22FN3OS
Molecular Weight347.46 g/mol
Exact Mass347.15
IUPAC Name[(4R)-2-[5-fluoro-7-[(1-methylcyclopentyl)amino]-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-4-yl]methanol
SMILESCC1(Nc2cc(F)cc3cc(C4=N[C@H](CO)CS4)[nH]c23)CCCC1
InChIInChI=1S/C18H22FN3OS/c1-18(4-2-3-5-18)22-14-8-12(19)6-11-7-15(21-16(11)14)17-20-13(9-23)10-24-17/h6-8,13,21-23H,2-5,9-10H2,1H3/t13-/m1/s1
InChIKeyZEOBGYZBDRWBKN-CYBMUJFWSA-N
XLogP3.91
TPSA60.41 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 53.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze [(4R)-2-[5-fluoro-7-[(1-methylcyclopentyl)amino]-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-4-yl]methanol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(4R)-2-[5-fluoro-7-[(1-methylcyclopentyl)amino]-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-4-yl]methanol?
The IUPAC name of [(4R)-2-[5-fluoro-7-[(1-methylcyclopentyl)amino]-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-4-yl]methanol (CID 25196714) is [(4R)-2-[5-fluoro-7-[(1-methylcyclopentyl)amino]-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-4-yl]methanol.
What is the SMILES notation for [(4R)-2-[5-fluoro-7-[(1-methylcyclopentyl)amino]-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-4-yl]methanol?
The canonical SMILES for [(4R)-2-[5-fluoro-7-[(1-methylcyclopentyl)amino]-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-4-yl]methanol is CC1(Nc2cc(F)cc3cc(C4=N[C@H](CO)CS4)[nH]c23)CCCC1.
What is the InChIKey of [(4R)-2-[5-fluoro-7-[(1-methylcyclopentyl)amino]-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-4-yl]methanol?
The InChIKey is ZEOBGYZBDRWBKN-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H22FN3OS/c1-18(4-2-3-5-18)22-14-8-12(19)6-11-7-15(21-16(11)14)17-20-13(9-23)10-24-17/h6-8,13,21-23H,2-5,9-10H2,1H3/t13-/m1/s1.
What are the key properties of [(4R)-2-[5-fluoro-7-[(1-methylcyclopentyl)amino]-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-4-yl]methanol?
[(4R)-2-[5-fluoro-7-[(1-methylcyclopentyl)amino]-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-4-yl]methanol has a molecular weight of 347.46 g/mol, XLogP of 3.91, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(4R)-2-[5-fluoro-7-[(1-methylcyclopentyl)amino]-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-4-yl]methanol is sourced from PubChem (CID 25196714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).