(5-iodothiophen-3-yl)-(3-propyltriazol-4-yl)methanol

C10H12IN3OS — CID 115834141

IUPAC(5-iodothiophen-3-yl)-(3-propyltriazol-4-yl)methanol
SMILESCCCn1nncc1C(O)c1csc(I)c1
InChIInChI=1S/C10H12IN3OS/c1-2-3-14-8(5-12-13-14)10(15)7-4-9(11)16-6-7/h4-6,10,15H,2-3H2,1H3
InChIKeyKCXJHJLRCGRBSJ-UHFFFAOYSA-N
MW349.20 g/mol
LogP2.44
Rot. Bonds4

About (5-iodothiophen-3-yl)-(3-propyltriazol-4-yl)methanol

(5-iodothiophen-3-yl)-(3-propyltriazol-4-yl)methanol (PubChem CID 115834141) has the molecular formula C10H12IN3OS and a molecular weight of 349.20 g/mol. Its IUPAC name is (5-iodothiophen-3-yl)-(3-propyltriazol-4-yl)methanol.

Molecular Properties

Compound Name(5-iodothiophen-3-yl)-(3-propyltriazol-4-yl)methanol
PubChem CID115834141
Molecular FormulaC10H12IN3OS
Molecular Weight349.20 g/mol
Exact Mass348.97
IUPAC Name(5-iodothiophen-3-yl)-(3-propyltriazol-4-yl)methanol
SMILESCCCn1nncc1C(O)c1csc(I)c1
InChIInChI=1S/C10H12IN3OS/c1-2-3-14-8(5-12-13-14)10(15)7-4-9(11)16-6-7/h4-6,10,15H,2-3H2,1H3
InChIKeyKCXJHJLRCGRBSJ-UHFFFAOYSA-N
XLogP2.44
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.20
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(3,5-dimethylphenyl)-(3-propyltriazol-4-yl)methanol
CID 114684920
(3-propyltriazol-4-yl)-(3,4,5-trifluorophenyl)methanol
CID 114684911
(4-methylphenyl)-(3-propyltriazol-4-yl)methanol
CID 114684818
(3-propyltriazol-4-yl)-pyridazin-4-ylmethanol
CID 105126997
(3,4-dimethoxyphenyl)-(3-propyltriazol-4-yl)methanol
CID 114684701
(4-bromo-3-methylphenyl)-(3-propyltriazol-4-yl)methanol
CID 114685279
4-(3-propyltriazol-4-yl)pentan-2-ol
CID 114690551
(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-(3-propyltriazol-4-yl)methanol
CID 114684943
(3-fluoro-4-methoxyphenyl)-(3-propyltriazol-4-yl)methanol
CID 114685101
2-(4-methyl-1,3-thiazol-2-yl)-1-(3-propyltriazol-4-yl)ethanol
CID 114686403
(7-methoxy-1,3-benzodioxol-5-yl)-(3-propyltriazol-4-yl)methanol
CID 114685479
(2,4-dibromophenyl)-(3-propyltriazol-4-yl)methanol
CID 114019485

Frequently Asked Questions

What is the IUPAC name of (5-iodothiophen-3-yl)-(3-propyltriazol-4-yl)methanol?
The IUPAC name of (5-iodothiophen-3-yl)-(3-propyltriazol-4-yl)methanol (CID 115834141) is (5-iodothiophen-3-yl)-(3-propyltriazol-4-yl)methanol.
What is the SMILES notation for (5-iodothiophen-3-yl)-(3-propyltriazol-4-yl)methanol?
The canonical SMILES for (5-iodothiophen-3-yl)-(3-propyltriazol-4-yl)methanol is CCCn1nncc1C(O)c1csc(I)c1.
What is the InChIKey of (5-iodothiophen-3-yl)-(3-propyltriazol-4-yl)methanol?
The InChIKey is KCXJHJLRCGRBSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12IN3OS/c1-2-3-14-8(5-12-13-14)10(15)7-4-9(11)16-6-7/h4-6,10,15H,2-3H2,1H3.
What are the key properties of (5-iodothiophen-3-yl)-(3-propyltriazol-4-yl)methanol?
(5-iodothiophen-3-yl)-(3-propyltriazol-4-yl)methanol has a molecular weight of 349.20 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-iodothiophen-3-yl)-(3-propyltriazol-4-yl)methanol is sourced from PubChem (CID 115834141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).