(4-bromo-5-chlorothiophen-2-yl)-(3-propyltriazol-4-yl)methanol

C10H11BrClN3OS — CID 102830282

IUPAC(4-bromo-5-chlorothiophen-2-yl)-(3-propyltriazol-4-yl)methanol
SMILESCCCn1nncc1C(O)c1cc(Br)c(Cl)s1
InChIInChI=1S/C10H11BrClN3OS/c1-2-3-15-7(5-13-14-15)9(16)8-4-6(11)10(12)17-8/h4-5,9,16H,2-3H2,1H3
InChIKeyOHEJTPPPGMXRFP-UHFFFAOYSA-N
MW336.64 g/mol
LogP3.25
Rot. Bonds4

About (4-bromo-5-chlorothiophen-2-yl)-(3-propyltriazol-4-yl)methanol

(4-bromo-5-chlorothiophen-2-yl)-(3-propyltriazol-4-yl)methanol (PubChem CID 102830282) has the molecular formula C10H11BrClN3OS and a molecular weight of 336.64 g/mol. Its IUPAC name is (4-bromo-5-chlorothiophen-2-yl)-(3-propyltriazol-4-yl)methanol.

Molecular Properties

Compound Name(4-bromo-5-chlorothiophen-2-yl)-(3-propyltriazol-4-yl)methanol
PubChem CID102830282
Molecular FormulaC10H11BrClN3OS
Molecular Weight336.64 g/mol
Exact Mass334.95
IUPAC Name(4-bromo-5-chlorothiophen-2-yl)-(3-propyltriazol-4-yl)methanol
SMILESCCCn1nncc1C(O)c1cc(Br)c(Cl)s1
InChIInChI=1S/C10H11BrClN3OS/c1-2-3-15-7(5-13-14-15)9(16)8-4-6(11)10(12)17-8/h4-5,9,16H,2-3H2,1H3
InChIKeyOHEJTPPPGMXRFP-UHFFFAOYSA-N
XLogP3.25
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.64
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3-Fluorothiophen-2-yl)-(3-methyltriazol-4-yl)methanol
CID 130594760
(4-Bromo-5-methylthiophen-2-yl)-(3-methyltriazol-4-yl)methanol
CID 102829636
(4-Bromo-5-methylthiophen-2-yl)-(3-propyltriazol-4-yl)methanol
CID 102829768
(4-Bromo-5-chlorothiophen-2-yl)-(2-methylpyrazol-3-yl)methanol
CID 102829895
(4-Bromo-5-chlorothiophen-2-yl)-pyrazin-2-ylmethanol
CID 102829897
(4-Bromo-5-chlorothiophen-2-yl)-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]methanol
CID 102829923
(4-Bromo-5-chlorothiophen-2-yl)-(3-phenyltriazol-4-yl)methanol
CID 102829929
(4-Bromo-5-chlorothiophen-2-yl)-(3-methyltriazol-4-yl)methanol
CID 102830038
(4-Bromo-5-chlorothiophen-2-yl)-(2-ethylpyrazol-3-yl)methanol
CID 102830180
(3-Chloro-4-methylthiophen-2-yl)-(3-methyltriazol-4-yl)methanol
CID 103408272
(5-Bromo-3-methyltriazol-4-yl)-(5-bromothiophen-2-yl)methanol
CID 106461122
(5-Bromo-3-methyltriazol-4-yl)-thiophen-2-ylmethanol
CID 106461147

Frequently Asked Questions

What is the IUPAC name of (4-bromo-5-chlorothiophen-2-yl)-(3-propyltriazol-4-yl)methanol?
The IUPAC name of (4-bromo-5-chlorothiophen-2-yl)-(3-propyltriazol-4-yl)methanol (CID 102830282) is (4-bromo-5-chlorothiophen-2-yl)-(3-propyltriazol-4-yl)methanol.
What is the SMILES notation for (4-bromo-5-chlorothiophen-2-yl)-(3-propyltriazol-4-yl)methanol?
The canonical SMILES for (4-bromo-5-chlorothiophen-2-yl)-(3-propyltriazol-4-yl)methanol is CCCn1nncc1C(O)c1cc(Br)c(Cl)s1.
What is the InChIKey of (4-bromo-5-chlorothiophen-2-yl)-(3-propyltriazol-4-yl)methanol?
The InChIKey is OHEJTPPPGMXRFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrClN3OS/c1-2-3-15-7(5-13-14-15)9(16)8-4-6(11)10(12)17-8/h4-5,9,16H,2-3H2,1H3.
What are the key properties of (4-bromo-5-chlorothiophen-2-yl)-(3-propyltriazol-4-yl)methanol?
(4-bromo-5-chlorothiophen-2-yl)-(3-propyltriazol-4-yl)methanol has a molecular weight of 336.64 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-5-chlorothiophen-2-yl)-(3-propyltriazol-4-yl)methanol is sourced from PubChem (CID 102830282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).