[1-[(4-methyl-1,3-thiazol-2-yl)methyl]indol-5-yl]methanol

C14H14N2OS — CID 102912636

IUPAC[1-[(4-methyl-1,3-thiazol-2-yl)methyl]indol-5-yl]methanol
SMILESCc1csc(Cn2ccc3cc(CO)ccc32)n1
InChIInChI=1S/C14H14N2OS/c1-10-9-18-14(15-10)7-16-5-4-12-6-11(8-17)2-3-13(12)16/h2-6,9,17H,7-8H2,1H3
InChIKeyKQTPXNQCWQHTCY-UHFFFAOYSA-N
MW258.35 g/mol
LogP2.95
Rot. Bonds3

About [1-[(4-methyl-1,3-thiazol-2-yl)methyl]indol-5-yl]methanol

[1-[(4-methyl-1,3-thiazol-2-yl)methyl]indol-5-yl]methanol (PubChem CID 102912636) has the molecular formula C14H14N2OS and a molecular weight of 258.35 g/mol. Its IUPAC name is [1-[(4-methyl-1,3-thiazol-2-yl)methyl]indol-5-yl]methanol.

Molecular Properties

Compound Name[1-[(4-methyl-1,3-thiazol-2-yl)methyl]indol-5-yl]methanol
PubChem CID102912636
Molecular FormulaC14H14N2OS
Molecular Weight258.35 g/mol
Exact Mass258.08
IUPAC Name[1-[(4-methyl-1,3-thiazol-2-yl)methyl]indol-5-yl]methanol
SMILESCc1csc(Cn2ccc3cc(CO)ccc32)n1
InChIInChI=1S/C14H14N2OS/c1-10-9-18-14(15-10)7-16-5-4-12-6-11(8-17)2-3-13(12)16/h2-6,9,17H,7-8H2,1H3
InChIKeyKQTPXNQCWQHTCY-UHFFFAOYSA-N
XLogP2.95
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.35
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-2-[(5-nitroindol-1-yl)methyl]-1,3-thiazole
CID 116619186
[1-[(4-ethylphenyl)methyl]indol-5-yl]methanol
CID 102912425
[1-[(5-methyl-3-pyridinyl)methyl]indol-5-yl]methanol
CID 102912773
3-[5-(hydroxymethyl)indol-1-yl]-2-methylpropan-1-ol
CID 102912449
(1-butylindol-5-yl)methanol
CID 102912394
4-[[5-(hydroxymethyl)indol-1-yl]methyl]benzoic acid
CID 102912731
4-[[5-(hydroxymethyl)indol-1-yl]methyl]benzonitrile
CID 102912614
[1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]indol-5-yl]methanol
CID 102912872
[1-[(5-chloro-1-methylimidazol-2-yl)methyl]indol-5-yl]methanol
CID 102912413
[1-[(E)-but-2-enyl]indol-5-yl]methanol
CID 102912660
[1-[2-(dimethylamino)ethyl]indol-5-yl]methanol
CID 102912856
[1-[(3-propylimidazol-4-yl)methyl]indol-5-yl]methanol
CID 102912438

Frequently Asked Questions

What is the IUPAC name of [1-[(4-methyl-1,3-thiazol-2-yl)methyl]indol-5-yl]methanol?
The IUPAC name of [1-[(4-methyl-1,3-thiazol-2-yl)methyl]indol-5-yl]methanol (CID 102912636) is [1-[(4-methyl-1,3-thiazol-2-yl)methyl]indol-5-yl]methanol.
What is the SMILES notation for [1-[(4-methyl-1,3-thiazol-2-yl)methyl]indol-5-yl]methanol?
The canonical SMILES for [1-[(4-methyl-1,3-thiazol-2-yl)methyl]indol-5-yl]methanol is Cc1csc(Cn2ccc3cc(CO)ccc32)n1.
What is the InChIKey of [1-[(4-methyl-1,3-thiazol-2-yl)methyl]indol-5-yl]methanol?
The InChIKey is KQTPXNQCWQHTCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2OS/c1-10-9-18-14(15-10)7-16-5-4-12-6-11(8-17)2-3-13(12)16/h2-6,9,17H,7-8H2,1H3.
What are the key properties of [1-[(4-methyl-1,3-thiazol-2-yl)methyl]indol-5-yl]methanol?
[1-[(4-methyl-1,3-thiazol-2-yl)methyl]indol-5-yl]methanol has a molecular weight of 258.35 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4-methyl-1,3-thiazol-2-yl)methyl]indol-5-yl]methanol is sourced from PubChem (CID 102912636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).