(5-chloro-1H-indol-3-yl)-[4-[(1R)-1-hydroxypropyl]-1,3-thiazol-2-yl]methanone

C15H13ClN2O2S — CID 155231597

IUPAC(5-chloro-1H-indol-3-yl)-[4-[(1R)-1-hydroxypropyl]-1,3-thiazol-2-yl]methanone
SMILESCC[C@@H](O)c1csc(C(=O)c2c[nH]c3ccc(Cl)cc23)n1
InChIInChI=1S/C15H13ClN2O2S/c1-2-13(19)12-7-21-15(18-12)14(20)10-6-17-11-4-3-8(16)5-9(10)11/h3-7,13,17,19H,2H2,1H3/t13-/m1/s1
InChIKeyHZACPGSEABFMRY-CYBMUJFWSA-N
MW320.80 g/mol
LogP3.95
Rot. Bonds4

About (5-chloro-1H-indol-3-yl)-[4-[(1R)-1-hydroxypropyl]-1,3-thiazol-2-yl]methanone

(5-chloro-1H-indol-3-yl)-[4-[(1R)-1-hydroxypropyl]-1,3-thiazol-2-yl]methanone (PubChem CID 155231597) has the molecular formula C15H13ClN2O2S and a molecular weight of 320.80 g/mol. Its IUPAC name is (5-chloro-1H-indol-3-yl)-[4-[(1R)-1-hydroxypropyl]-1,3-thiazol-2-yl]methanone.

Molecular Properties

Compound Name(5-chloro-1H-indol-3-yl)-[4-[(1R)-1-hydroxypropyl]-1,3-thiazol-2-yl]methanone
PubChem CID155231597
Molecular FormulaC15H13ClN2O2S
Molecular Weight320.80 g/mol
Exact Mass320.04
IUPAC Name(5-chloro-1H-indol-3-yl)-[4-[(1R)-1-hydroxypropyl]-1,3-thiazol-2-yl]methanone
SMILESCC[C@@H](O)c1csc(C(=O)c2c[nH]c3ccc(Cl)cc23)n1
InChIInChI=1S/C15H13ClN2O2S/c1-2-13(19)12-7-21-15(18-12)14(20)10-6-17-11-4-3-8(16)5-9(10)11/h3-7,13,17,19H,2H2,1H3/t13-/m1/s1
InChIKeyHZACPGSEABFMRY-CYBMUJFWSA-N
XLogP3.95
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.80
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(5,6-difluoro-1H-indol-3-yl)-[4-[(1S)-1-hydroxypropyl]-1,3-thiazol-2-yl]methanone
CID 155231624
(6-fluoro-1H-indol-3-yl)-[4-[(1S)-1-hydroxypropyl]-1,3-thiazol-2-yl]methanone;sulfane
CID 160579976
(5,7-difluoro-1H-indol-3-yl)-[4-[(1R)-1-hydroxypropyl]-1,3-thiazol-2-yl]methanone
CID 155231612
[4-[(1S)-1-aminopropyl]-1,3-thiazol-2-yl]-(6-fluoro-1H-indol-3-yl)methanone;methane
CID 161081199
(1S)-1-(5-chloro-1H-indol-3-yl)propan-1-ol
CID 82758549
1H-indol-3-yl-(4-propan-2-yl-1,3-thiazol-2-yl)methanone;sulfur trioxide
CID 160595335
(5-chloro-1H-indol-3-yl)-(5-iodothiophen-3-yl)methanone
CID 79685663
(5-chloro-1H-indol-3-yl)-(4-methylphenyl)methanone
CID 59430906
(5-chloro-1H-indol-3-yl)-(3,4-dichlorophenyl)methanone
CID 63877670
[4-[hydroxy-(4-methylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]-(1H-indol-3-yl)methanone
CID 166765134
(5,6-difluoro-1H-indol-3-yl)-(4-propyl-1,3-thiazol-2-yl)methanone
CID 155713337
(2,5-dichlorophenyl)-(5-methyl-1H-indol-3-yl)methanone
CID 63555332

Frequently Asked Questions

What is the IUPAC name of (5-chloro-1H-indol-3-yl)-[4-[(1R)-1-hydroxypropyl]-1,3-thiazol-2-yl]methanone?
The IUPAC name of (5-chloro-1H-indol-3-yl)-[4-[(1R)-1-hydroxypropyl]-1,3-thiazol-2-yl]methanone (CID 155231597) is (5-chloro-1H-indol-3-yl)-[4-[(1R)-1-hydroxypropyl]-1,3-thiazol-2-yl]methanone.
What is the SMILES notation for (5-chloro-1H-indol-3-yl)-[4-[(1R)-1-hydroxypropyl]-1,3-thiazol-2-yl]methanone?
The canonical SMILES for (5-chloro-1H-indol-3-yl)-[4-[(1R)-1-hydroxypropyl]-1,3-thiazol-2-yl]methanone is CC[C@@H](O)c1csc(C(=O)c2c[nH]c3ccc(Cl)cc23)n1.
What is the InChIKey of (5-chloro-1H-indol-3-yl)-[4-[(1R)-1-hydroxypropyl]-1,3-thiazol-2-yl]methanone?
The InChIKey is HZACPGSEABFMRY-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H13ClN2O2S/c1-2-13(19)12-7-21-15(18-12)14(20)10-6-17-11-4-3-8(16)5-9(10)11/h3-7,13,17,19H,2H2,1H3/t13-/m1/s1.
What are the key properties of (5-chloro-1H-indol-3-yl)-[4-[(1R)-1-hydroxypropyl]-1,3-thiazol-2-yl]methanone?
(5-chloro-1H-indol-3-yl)-[4-[(1R)-1-hydroxypropyl]-1,3-thiazol-2-yl]methanone has a molecular weight of 320.80 g/mol, XLogP of 3.95, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-1H-indol-3-yl)-[4-[(1R)-1-hydroxypropyl]-1,3-thiazol-2-yl]methanone is sourced from PubChem (CID 155231597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).