4-(1H-indol-3-ylmethyl)-1,3-thiazole

C12H10N2S — CID 11528610

IUPAC4-(1H-indol-3-ylmethyl)-1,3-thiazole
SMILESc1ccc2c(Cc3cscn3)c[nH]c2c1
InChIInChI=1S/C12H10N2S/c1-2-4-12-11(3-1)9(6-13-12)5-10-7-15-8-14-10/h1-4,6-8,13H,5H2
InChIKeyTYYYCBLSBXONAF-UHFFFAOYSA-N
MW214.29 g/mol
LogP3.22
Rot. Bonds2

About 4-(1H-indol-3-ylmethyl)-1,3-thiazole

4-(1H-indol-3-ylmethyl)-1,3-thiazole (PubChem CID 11528610) has the molecular formula C12H10N2S and a molecular weight of 214.29 g/mol. Its IUPAC name is 4-(1H-indol-3-ylmethyl)-1,3-thiazole.

Molecular Properties

Compound Name4-(1H-indol-3-ylmethyl)-1,3-thiazole
PubChem CID11528610
Molecular FormulaC12H10N2S
Molecular Weight214.29 g/mol
Exact Mass214.06
IUPAC Name4-(1H-indol-3-ylmethyl)-1,3-thiazole
SMILESc1ccc2c(Cc3cscn3)c[nH]c2c1
InChIInChI=1S/C12H10N2S/c1-2-4-12-11(3-1)9(6-13-12)5-10-7-15-8-14-10/h1-4,6-8,13H,5H2
InChIKeyTYYYCBLSBXONAF-UHFFFAOYSA-N
XLogP3.22
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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3-[5-(thiophen-3-yl)pyridin-3-yl]-1H-indole
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2-(5-Thiophen-2-yl-1H-indol-3-yl)-ethylamine
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N-(4-tert-butylthiazol-2-yl)-1H-indol-4-amine
CID 21866574
1-[2-(1H-Indol-3-yl)-ethyl]-3-thiazol-2-yl-thiourea
CID 9857574
Dimethyl-[2-(5-thiophen-2-yl-1H-indol-3-yl)-ethyl]-amine
CID 11402988
Dimethyl-[2-(5-thiophen-3-yl-1H-indol-3-yl)-ethyl]-amine
CID 44214329
2-((1H-indol-3-yl)thio)aniline
CID 693281

Frequently Asked Questions

What is the IUPAC name of 4-(1H-indol-3-ylmethyl)-1,3-thiazole?
The IUPAC name of 4-(1H-indol-3-ylmethyl)-1,3-thiazole (CID 11528610) is 4-(1H-indol-3-ylmethyl)-1,3-thiazole.
What is the SMILES notation for 4-(1H-indol-3-ylmethyl)-1,3-thiazole?
The canonical SMILES for 4-(1H-indol-3-ylmethyl)-1,3-thiazole is c1ccc2c(Cc3cscn3)c[nH]c2c1.
What is the InChIKey of 4-(1H-indol-3-ylmethyl)-1,3-thiazole?
The InChIKey is TYYYCBLSBXONAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2S/c1-2-4-12-11(3-1)9(6-13-12)5-10-7-15-8-14-10/h1-4,6-8,13H,5H2.
What are the key properties of 4-(1H-indol-3-ylmethyl)-1,3-thiazole?
4-(1H-indol-3-ylmethyl)-1,3-thiazole has a molecular weight of 214.29 g/mol, XLogP of 3.22, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-indol-3-ylmethyl)-1,3-thiazole is sourced from PubChem (CID 11528610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).