5-bromo-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2,3-dihydro-1H-inden-1-amine

C15H17BrN2S — CID 103777124

IUPAC5-bromo-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2,3-dihydro-1H-inden-1-amine
SMILESCc1nc(CCNC2CCc3cc(Br)ccc32)cs1
InChIInChI=1S/C15H17BrN2S/c1-10-18-13(9-19-10)6-7-17-15-5-2-11-8-12(16)3-4-14(11)15/h3-4,8-9,15,17H,2,5-7H2,1H3
InChIKeyPVOOVOKCVUWDOZ-UHFFFAOYSA-N
MW337.29 g/mol
LogP4.03
Rot. Bonds4

About 5-bromo-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2,3-dihydro-1H-inden-1-amine

5-bromo-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2,3-dihydro-1H-inden-1-amine (PubChem CID 103777124) has the molecular formula C15H17BrN2S and a molecular weight of 337.29 g/mol. Its IUPAC name is 5-bromo-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name5-bromo-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2,3-dihydro-1H-inden-1-amine
PubChem CID103777124
Molecular FormulaC15H17BrN2S
Molecular Weight337.29 g/mol
Exact Mass336.03
IUPAC Name5-bromo-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2,3-dihydro-1H-inden-1-amine
SMILESCc1nc(CCNC2CCc3cc(Br)ccc32)cs1
InChIInChI=1S/C15H17BrN2S/c1-10-18-13(9-19-10)6-7-17-15-5-2-11-8-12(16)3-4-14(11)15/h3-4,8-9,15,17H,2,5-7H2,1H3
InChIKeyPVOOVOKCVUWDOZ-UHFFFAOYSA-N
XLogP4.03
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.29
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2,3-dihydro-1H-inden-1-amine
CID 103777234
N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2,3-dihydro-1H-inden-1-amine
CID 71916244
5-bromo-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-2,3-dihydro-1H-inden-1-amine
CID 103931619
2-[(5-bromo-2,3-dihydro-1H-inden-1-yl)amino]-N-methylethanesulfonamide
CID 102676098
5-bromo-N-[2-(2-methylprop-2-enoxy)ethyl]-2,3-dihydro-1H-inden-1-amine
CID 115894121
1-[2-(1,3-thiazol-4-yl)ethylamino]-2,3-dihydro-1H-inden-5-ol
CID 107682370
3-[(5-bromo-2,3-dihydro-1H-inden-1-yl)amino]-N,N-diethylpropanamide
CID 61069531
5-bromo-N-[(3-bromophenyl)methyl]-2,3-dihydro-1H-inden-1-amine
CID 61401280
5-bromo-N-(2,2,3-trimethylbutyl)-2,3-dihydro-1H-inden-1-amine
CID 114099494
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 43183561
5-bromo-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2,3-dihydro-1H-inden-1-amine
CID 103851430
2-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]cyclopentan-1-ol
CID 106045358

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of 5-bromo-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2,3-dihydro-1H-inden-1-amine (CID 103777124) is 5-bromo-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for 5-bromo-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for 5-bromo-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2,3-dihydro-1H-inden-1-amine is Cc1nc(CCNC2CCc3cc(Br)ccc32)cs1.
What is the InChIKey of 5-bromo-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2,3-dihydro-1H-inden-1-amine?
The InChIKey is PVOOVOKCVUWDOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2S/c1-10-18-13(9-19-10)6-7-17-15-5-2-11-8-12(16)3-4-14(11)15/h3-4,8-9,15,17H,2,5-7H2,1H3.
What are the key properties of 5-bromo-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2,3-dihydro-1H-inden-1-amine?
5-bromo-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2,3-dihydro-1H-inden-1-amine has a molecular weight of 337.29 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 103777124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).