[2-(aminomethyl)-1,3-thiazol-4-yl]-(5-methoxy-2,3-dihydroindol-1-yl)methanone;hydrochloride

C14H16ClN3O2S — CID 119760441

IUPAC[2-(aminomethyl)-1,3-thiazol-4-yl]-(5-methoxy-2,3-dihydroindol-1-yl)methanone;hydrochloride
SMILESCOc1ccc2c(c1)CCN2C(=O)c1csc(CN)n1.Cl
InChIInChI=1S/C14H15N3O2S.ClH/c1-19-10-2-3-12-9(6-10)4-5-17(12)14(18)11-8-20-13(7-15)16-11;/h2-3,6,8H,4-5,7,15H2,1H3;1H
InChIKeyCCQJSJLBQDDVDU-UHFFFAOYSA-N
MW325.82 g/mol
LogP2.24
Rot. Bonds3

About [2-(aminomethyl)-1,3-thiazol-4-yl]-(5-methoxy-2,3-dihydroindol-1-yl)methanone;hydrochloride

[2-(aminomethyl)-1,3-thiazol-4-yl]-(5-methoxy-2,3-dihydroindol-1-yl)methanone;hydrochloride (PubChem CID 119760441) has the molecular formula C14H16ClN3O2S and a molecular weight of 325.82 g/mol. Its IUPAC name is [2-(aminomethyl)-1,3-thiazol-4-yl]-(5-methoxy-2,3-dihydroindol-1-yl)methanone;hydrochloride.

Molecular Properties

Compound Name[2-(aminomethyl)-1,3-thiazol-4-yl]-(5-methoxy-2,3-dihydroindol-1-yl)methanone;hydrochloride
PubChem CID119760441
Molecular FormulaC14H16ClN3O2S
Molecular Weight325.82 g/mol
Exact Mass325.07
IUPAC Name[2-(aminomethyl)-1,3-thiazol-4-yl]-(5-methoxy-2,3-dihydroindol-1-yl)methanone;hydrochloride
SMILESCOc1ccc2c(c1)CCN2C(=O)c1csc(CN)n1.Cl
InChIInChI=1S/C14H15N3O2S.ClH/c1-19-10-2-3-12-9(6-10)4-5-17(12)14(18)11-8-20-13(7-15)16-11;/h2-3,6,8H,4-5,7,15H2,1H3;1H
InChIKeyCCQJSJLBQDDVDU-UHFFFAOYSA-N
XLogP2.24
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.82
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-1-(5-methoxy-2,3-dihydroindol-1-yl)ethanone;hydrochloride
CID 119310079
[5-(aminomethyl)furan-2-yl]-(5-methoxy-2,3-dihydroindol-1-yl)methanone;hydrochloride
CID 126767960
[2-(aminomethyl)-1,3-thiazol-4-yl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone;dihydrochloride
CID 119829444
[5-(aminomethyl)-2,3-dihydroindol-1-yl]-(4-methoxyphenyl)methanone
CID 53212554
(2S)-2-amino-1-(5-methoxy-2,3-dihydroindol-1-yl)propan-1-one;hydrochloride
CID 119310076
1-[4-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-3-(4-methoxyphenyl)propan-1-one;hydrochloride
CID 119754713
[2-(2-aminoethyl)-1,3-thiazol-4-yl]-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 66373617
1-[4-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-2-(3-methoxyphenyl)ethanone;hydrochloride
CID 119754929
[2-(aminomethyl)-1,3-thiazol-4-yl]-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 119693402
(5-methoxy-2,3-dihydroindol-1-yl)-pyridin-4-ylmethanone
CID 52795317
(5-amino-2,3-dihydroindol-1-yl)-(2-methyl-1,3-thiazol-4-yl)methanone
CID 65199933
[2-(aminomethyl)-1,3-thiazol-4-yl]-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone
CID 66380814

Frequently Asked Questions

What is the IUPAC name of [2-(aminomethyl)-1,3-thiazol-4-yl]-(5-methoxy-2,3-dihydroindol-1-yl)methanone;hydrochloride?
The IUPAC name of [2-(aminomethyl)-1,3-thiazol-4-yl]-(5-methoxy-2,3-dihydroindol-1-yl)methanone;hydrochloride (CID 119760441) is [2-(aminomethyl)-1,3-thiazol-4-yl]-(5-methoxy-2,3-dihydroindol-1-yl)methanone;hydrochloride.
What is the SMILES notation for [2-(aminomethyl)-1,3-thiazol-4-yl]-(5-methoxy-2,3-dihydroindol-1-yl)methanone;hydrochloride?
The canonical SMILES for [2-(aminomethyl)-1,3-thiazol-4-yl]-(5-methoxy-2,3-dihydroindol-1-yl)methanone;hydrochloride is COc1ccc2c(c1)CCN2C(=O)c1csc(CN)n1.Cl.
What is the InChIKey of [2-(aminomethyl)-1,3-thiazol-4-yl]-(5-methoxy-2,3-dihydroindol-1-yl)methanone;hydrochloride?
The InChIKey is CCQJSJLBQDDVDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2S.ClH/c1-19-10-2-3-12-9(6-10)4-5-17(12)14(18)11-8-20-13(7-15)16-11;/h2-3,6,8H,4-5,7,15H2,1H3;1H.
What are the key properties of [2-(aminomethyl)-1,3-thiazol-4-yl]-(5-methoxy-2,3-dihydroindol-1-yl)methanone;hydrochloride?
[2-(aminomethyl)-1,3-thiazol-4-yl]-(5-methoxy-2,3-dihydroindol-1-yl)methanone;hydrochloride has a molecular weight of 325.82 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(aminomethyl)-1,3-thiazol-4-yl]-(5-methoxy-2,3-dihydroindol-1-yl)methanone;hydrochloride is sourced from PubChem (CID 119760441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).