1-(4-bromophenyl)-3-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propan-1-ol

C17H20BrNOS — CID 62619347

IUPAC1-(4-bromophenyl)-3-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propan-1-ol
SMILESCC1c2ccsc2CCN1CCC(O)c1ccc(Br)cc1
InChIInChI=1S/C17H20BrNOS/c1-12-15-8-11-21-17(15)7-10-19(12)9-6-16(20)13-2-4-14(18)5-3-13/h2-5,8,11-12,16,20H,6-7,9-10H2,1H3
InChIKeyZNJBQLDWSJFSLC-UHFFFAOYSA-N
MW366.32 g/mol
LogP4.55
Rot. Bonds4

About 1-(4-bromophenyl)-3-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propan-1-ol

1-(4-bromophenyl)-3-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propan-1-ol (PubChem CID 62619347) has the molecular formula C17H20BrNOS and a molecular weight of 366.32 g/mol. Its IUPAC name is 1-(4-bromophenyl)-3-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propan-1-ol.

Molecular Properties

Compound Name1-(4-bromophenyl)-3-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propan-1-ol
PubChem CID62619347
Molecular FormulaC17H20BrNOS
Molecular Weight366.32 g/mol
Exact Mass365.04
IUPAC Name1-(4-bromophenyl)-3-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propan-1-ol
SMILESCC1c2ccsc2CCN1CCC(O)c1ccc(Br)cc1
InChIInChI=1S/C17H20BrNOS/c1-12-15-8-11-21-17(15)7-10-19(12)9-6-16(20)13-2-4-14(18)5-3-13/h2-5,8,11-12,16,20H,6-7,9-10H2,1H3
InChIKeyZNJBQLDWSJFSLC-UHFFFAOYSA-N
XLogP4.55
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.32
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-3-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propan-1-ol?
The IUPAC name of 1-(4-bromophenyl)-3-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propan-1-ol (CID 62619347) is 1-(4-bromophenyl)-3-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propan-1-ol.
What is the SMILES notation for 1-(4-bromophenyl)-3-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propan-1-ol?
The canonical SMILES for 1-(4-bromophenyl)-3-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propan-1-ol is CC1c2ccsc2CCN1CCC(O)c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-3-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propan-1-ol?
The InChIKey is ZNJBQLDWSJFSLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrNOS/c1-12-15-8-11-21-17(15)7-10-19(12)9-6-16(20)13-2-4-14(18)5-3-13/h2-5,8,11-12,16,20H,6-7,9-10H2,1H3.
What are the key properties of 1-(4-bromophenyl)-3-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propan-1-ol?
1-(4-bromophenyl)-3-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propan-1-ol has a molecular weight of 366.32 g/mol, XLogP of 4.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-3-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propan-1-ol is sourced from PubChem (CID 62619347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).