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

C12H10N2S — CID 22397295

IUPAC4-(indol-1-ylmethyl)-1,3-thiazole
SMILESc1ccc2c(c1)ccn2Cc1cscn1
InChIInChI=1S/C12H10N2S/c1-2-4-12-10(3-1)5-6-14(12)7-11-8-15-9-13-11/h1-6,8-9H,7H2
InChIKeyAFLBFGWBTUJOBK-UHFFFAOYSA-N
MW214.29 g/mol
LogP3.15
Rot. Bonds2

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

4-(indol-1-ylmethyl)-1,3-thiazole (PubChem CID 22397295) has the molecular formula C12H10N2S and a molecular weight of 214.29 g/mol. Its IUPAC name is 4-(indol-1-ylmethyl)-1,3-thiazole.

Molecular Properties

Compound Name4-(indol-1-ylmethyl)-1,3-thiazole
PubChem CID22397295
Molecular FormulaC12H10N2S
Molecular Weight214.29 g/mol
Exact Mass214.06
IUPAC Name4-(indol-1-ylmethyl)-1,3-thiazole
SMILESc1ccc2c(c1)ccn2Cc1cscn1
InChIInChI=1S/C12H10N2S/c1-2-4-12-10(3-1)5-6-14(12)7-11-8-15-9-13-11/h1-6,8-9H,7H2
InChIKeyAFLBFGWBTUJOBK-UHFFFAOYSA-N
XLogP3.15
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1,3-thiazol-4-ylmethyl)pyridin-2-one
CID 115582456
1-(pyrimidin-2-ylmethyl)indole
CID 63810960
2-methoxy-N-[[1-(1,3-thiazol-4-ylmethyl)indol-6-yl]methyl]ethanamine
CID 102917030
4-[[2-(1-chloroethyl)benzimidazol-1-yl]methyl]-1,3-thiazole
CID 63826223
[4-(indol-1-ylmethyl)phenyl]methanamine
CID 43134818
1-[[3,5-bis(indol-1-ylmethyl)-2,4,6-trimethylphenyl]methyl]indole
CID 102177432
1-ethyl-3-(1,3-thiazol-4-ylmethyl)pyrimidine-2,4-dione
CID 63811075
N-[[1-(1,3-thiazol-4-ylmethyl)indol-3-yl]methyl]propan-2-amine
CID 66407995
1-[(1-ethylimidazol-2-yl)methyl]indole
CID 63811583
N-[[1-(1,3-thiazol-4-ylmethyl)pyrrol-2-yl]methyl]ethanamine
CID 66401757
1-(1,3-thiazol-4-ylmethyl)pyridin-4-one
CID 116622179
2-(indol-1-ylmethyl)benzene-1,3-diamine
CID 141087878

Frequently Asked Questions

What is the IUPAC name of 4-(indol-1-ylmethyl)-1,3-thiazole?
The IUPAC name of 4-(indol-1-ylmethyl)-1,3-thiazole (CID 22397295) is 4-(indol-1-ylmethyl)-1,3-thiazole.
What is the SMILES notation for 4-(indol-1-ylmethyl)-1,3-thiazole?
The canonical SMILES for 4-(indol-1-ylmethyl)-1,3-thiazole is c1ccc2c(c1)ccn2Cc1cscn1.
What is the InChIKey of 4-(indol-1-ylmethyl)-1,3-thiazole?
The InChIKey is AFLBFGWBTUJOBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2S/c1-2-4-12-10(3-1)5-6-14(12)7-11-8-15-9-13-11/h1-6,8-9H,7H2.
What are the key properties of 4-(indol-1-ylmethyl)-1,3-thiazole?
4-(indol-1-ylmethyl)-1,3-thiazole has a molecular weight of 214.29 g/mol, XLogP of 3.15, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(indol-1-ylmethyl)-1,3-thiazole is sourced from PubChem (CID 22397295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).