(3-bromo-7-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl)methanethiol

C9H13BrN2S — CID 117247200

IUPAC(3-bromo-7-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl)methanethiol
SMILESCC1CCn2c(Br)nc(CS)c2C1
InChIInChI=1S/C9H13BrN2S/c1-6-2-3-12-8(4-6)7(5-13)11-9(12)10/h6,13H,2-5H2,1H3
InChIKeyZCJOLEPPUAOFAP-UHFFFAOYSA-N
MW261.19 g/mol
LogP2.66
Rot. Bonds1

About (3-bromo-7-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl)methanethiol

(3-bromo-7-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl)methanethiol (PubChem CID 117247200) has the molecular formula C9H13BrN2S and a molecular weight of 261.19 g/mol. Its IUPAC name is (3-bromo-7-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl)methanethiol.

Molecular Properties

Compound Name(3-bromo-7-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl)methanethiol
PubChem CID117247200
Molecular FormulaC9H13BrN2S
Molecular Weight261.19 g/mol
Exact Mass260.00
IUPAC Name(3-bromo-7-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl)methanethiol
SMILESCC1CCn2c(Br)nc(CS)c2C1
InChIInChI=1S/C9H13BrN2S/c1-6-2-3-12-8(4-6)7(5-13)11-9(12)10/h6,13H,2-5H2,1H3
InChIKeyZCJOLEPPUAOFAP-UHFFFAOYSA-N
XLogP2.66
TPSA17.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.19
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

(3-bromo-7-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl)methanamine
CID 117247121
(3-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl)methanethiol
CID 117247198
(3,7-dimethyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl)methanamine
CID 83865418
3-benzyl-1-bromo-7-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine
CID 117249171
N-[(1-bromo-7-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)methyl]cyclobutanamine
CID 117247204
1-(3-bromo-7-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)propan-2-one
CID 83693979
1-bromo-7-methyl-3-pyrrolidin-3-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine
CID 117248968
2-(1-chloro-7-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)ethanol
CID 117248887
1-bromo-7-methyl-3-(3-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine
CID 117249314
3-ethyl-7-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-sulfonyl chloride
CID 112552253
1-chloro-7-methyl-3-(oxan-4-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine
CID 117249038
1-bromo-3-(furan-2-yl)-7-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine
CID 117249116

Frequently Asked Questions

What is the IUPAC name of (3-bromo-7-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl)methanethiol?
The IUPAC name of (3-bromo-7-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl)methanethiol (CID 117247200) is (3-bromo-7-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl)methanethiol.
What is the SMILES notation for (3-bromo-7-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl)methanethiol?
The canonical SMILES for (3-bromo-7-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl)methanethiol is CC1CCn2c(Br)nc(CS)c2C1.
What is the InChIKey of (3-bromo-7-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl)methanethiol?
The InChIKey is ZCJOLEPPUAOFAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13BrN2S/c1-6-2-3-12-8(4-6)7(5-13)11-9(12)10/h6,13H,2-5H2,1H3.
What are the key properties of (3-bromo-7-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl)methanethiol?
(3-bromo-7-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl)methanethiol has a molecular weight of 261.19 g/mol, XLogP of 2.66, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-7-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl)methanethiol is sourced from PubChem (CID 117247200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).