(5-chloro-2,3-dihydroindol-1-yl)-[2-(ethylamino)-1,3-thiazol-4-yl]methanone

C14H14ClN3OS — CID 136542867

IUPAC(5-chloro-2,3-dihydroindol-1-yl)-[2-(ethylamino)-1,3-thiazol-4-yl]methanone
SMILESCCNc1nc(C(=O)N2CCc3cc(Cl)ccc32)cs1
InChIInChI=1S/C14H14ClN3OS/c1-2-16-14-17-11(8-20-14)13(19)18-6-5-9-7-10(15)3-4-12(9)18/h3-4,7-8H,2,5-6H2,1H3,(H,16,17)
InChIKeyHVZNKWQERFSMGN-UHFFFAOYSA-N
MW307.81 g/mol
LogP3.43
Rot. Bonds3

About (5-chloro-2,3-dihydroindol-1-yl)-[2-(ethylamino)-1,3-thiazol-4-yl]methanone

(5-chloro-2,3-dihydroindol-1-yl)-[2-(ethylamino)-1,3-thiazol-4-yl]methanone (PubChem CID 136542867) has the molecular formula C14H14ClN3OS and a molecular weight of 307.81 g/mol. Its IUPAC name is (5-chloro-2,3-dihydroindol-1-yl)-[2-(ethylamino)-1,3-thiazol-4-yl]methanone.

Molecular Properties

Compound Name(5-chloro-2,3-dihydroindol-1-yl)-[2-(ethylamino)-1,3-thiazol-4-yl]methanone
PubChem CID136542867
Molecular FormulaC14H14ClN3OS
Molecular Weight307.81 g/mol
Exact Mass307.05
IUPAC Name(5-chloro-2,3-dihydroindol-1-yl)-[2-(ethylamino)-1,3-thiazol-4-yl]methanone
SMILESCCNc1nc(C(=O)N2CCc3cc(Cl)ccc32)cs1
InChIInChI=1S/C14H14ClN3OS/c1-2-16-14-17-11(8-20-14)13(19)18-6-5-9-7-10(15)3-4-12(9)18/h3-4,7-8H,2,5-6H2,1H3,(H,16,17)
InChIKeyHVZNKWQERFSMGN-UHFFFAOYSA-N
XLogP3.43
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.81
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[2-(5-chloro-2,3-dihydroindol-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]-2,2-dimethylpropanamide
CID 166195924
(5-amino-2,3-dihydroindol-1-yl)-(2-methyl-1,3-thiazol-4-yl)methanone
CID 65199933
5-chloro-2,3-dihydroindole-1-carboxylic acid
CID 68859490
[2-(aminomethyl)-1,3-thiazol-4-yl]-(5-methoxy-2,3-dihydroindol-1-yl)methanone;hydrochloride
CID 119760441
methyl 1-(2-pyrimidin-2-yl-1,3-thiazole-4-carbonyl)-2,3-dihydroindole-5-carboxylate
CID 55871361
1-[2-(ethylamino)-1,3-thiazole-4-carbonyl]-1,4-diazepan-5-one
CID 136516092
[2-[(4-chlorophenyl)methoxy]phenyl]-[5-[2-(methylamino)-1,3-thiazol-4-yl]-2,3-dihydroindol-1-yl]methanone
CID 122177129
[(2R,4R)-2,4-dimethylpiperidin-1-yl]-[2-(ethylamino)-1,3-thiazol-4-yl]methanone
CID 136582996
2-methyl-N-[4-(1-propanoyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]propanamide
CID 1458890
[2-(2-aminoethyl)-1,3-thiazol-4-yl]-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 66373617
1-(2-methyl-1,3-thiazole-4-carbonyl)-3,4-dihydro-2H-quinoline-6-carboxylic acid
CID 65199902
N-[4-[2-(6-chloro-2,3-dihydroindol-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]-2,2-dimethylpropanamide
CID 166216389

Frequently Asked Questions

What is the IUPAC name of (5-chloro-2,3-dihydroindol-1-yl)-[2-(ethylamino)-1,3-thiazol-4-yl]methanone?
The IUPAC name of (5-chloro-2,3-dihydroindol-1-yl)-[2-(ethylamino)-1,3-thiazol-4-yl]methanone (CID 136542867) is (5-chloro-2,3-dihydroindol-1-yl)-[2-(ethylamino)-1,3-thiazol-4-yl]methanone.
What is the SMILES notation for (5-chloro-2,3-dihydroindol-1-yl)-[2-(ethylamino)-1,3-thiazol-4-yl]methanone?
The canonical SMILES for (5-chloro-2,3-dihydroindol-1-yl)-[2-(ethylamino)-1,3-thiazol-4-yl]methanone is CCNc1nc(C(=O)N2CCc3cc(Cl)ccc32)cs1.
What is the InChIKey of (5-chloro-2,3-dihydroindol-1-yl)-[2-(ethylamino)-1,3-thiazol-4-yl]methanone?
The InChIKey is HVZNKWQERFSMGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3OS/c1-2-16-14-17-11(8-20-14)13(19)18-6-5-9-7-10(15)3-4-12(9)18/h3-4,7-8H,2,5-6H2,1H3,(H,16,17).
What are the key properties of (5-chloro-2,3-dihydroindol-1-yl)-[2-(ethylamino)-1,3-thiazol-4-yl]methanone?
(5-chloro-2,3-dihydroindol-1-yl)-[2-(ethylamino)-1,3-thiazol-4-yl]methanone has a molecular weight of 307.81 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2,3-dihydroindol-1-yl)-[2-(ethylamino)-1,3-thiazol-4-yl]methanone is sourced from PubChem (CID 136542867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).