4-(4-propan-2-yloxyphenyl)-2-(1H-1,2,4-triazol-5-yl)-1,3-thiazole

C14H14N4OS — CID 62945283

IUPAC4-(4-propan-2-yloxyphenyl)-2-(1H-1,2,4-triazol-5-yl)-1,3-thiazole
SMILESCC(C)Oc1ccc(-c2csc(-c3ncn[nH]3)n2)cc1
InChIInChI=1S/C14H14N4OS/c1-9(2)19-11-5-3-10(4-6-11)12-7-20-14(17-12)13-15-8-16-18-13/h3-9H,1-2H3,(H,15,16,18)
InChIKeyNCPWSFJLQGQSHB-UHFFFAOYSA-N
MW286.36 g/mol
LogP3.38
Rot. Bonds4

About 4-(4-propan-2-yloxyphenyl)-2-(1H-1,2,4-triazol-5-yl)-1,3-thiazole

4-(4-propan-2-yloxyphenyl)-2-(1H-1,2,4-triazol-5-yl)-1,3-thiazole (PubChem CID 62945283) has the molecular formula C14H14N4OS and a molecular weight of 286.36 g/mol. Its IUPAC name is 4-(4-propan-2-yloxyphenyl)-2-(1H-1,2,4-triazol-5-yl)-1,3-thiazole.

Molecular Properties

Compound Name4-(4-propan-2-yloxyphenyl)-2-(1H-1,2,4-triazol-5-yl)-1,3-thiazole
PubChem CID62945283
Molecular FormulaC14H14N4OS
Molecular Weight286.36 g/mol
Exact Mass286.09
IUPAC Name4-(4-propan-2-yloxyphenyl)-2-(1H-1,2,4-triazol-5-yl)-1,3-thiazole
SMILESCC(C)Oc1ccc(-c2csc(-c3ncn[nH]3)n2)cc1
InChIInChI=1S/C14H14N4OS/c1-9(2)19-11-5-3-10(4-6-11)12-7-20-14(17-12)13-15-8-16-18-13/h3-9H,1-2H3,(H,15,16,18)
InChIKeyNCPWSFJLQGQSHB-UHFFFAOYSA-N
XLogP3.38
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-propan-2-yloxyphenyl)-2-(1H-1,2,4-triazol-5-yl)-1,3-thiazole?
The IUPAC name of 4-(4-propan-2-yloxyphenyl)-2-(1H-1,2,4-triazol-5-yl)-1,3-thiazole (CID 62945283) is 4-(4-propan-2-yloxyphenyl)-2-(1H-1,2,4-triazol-5-yl)-1,3-thiazole.
What is the SMILES notation for 4-(4-propan-2-yloxyphenyl)-2-(1H-1,2,4-triazol-5-yl)-1,3-thiazole?
The canonical SMILES for 4-(4-propan-2-yloxyphenyl)-2-(1H-1,2,4-triazol-5-yl)-1,3-thiazole is CC(C)Oc1ccc(-c2csc(-c3ncn[nH]3)n2)cc1.
What is the InChIKey of 4-(4-propan-2-yloxyphenyl)-2-(1H-1,2,4-triazol-5-yl)-1,3-thiazole?
The InChIKey is NCPWSFJLQGQSHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4OS/c1-9(2)19-11-5-3-10(4-6-11)12-7-20-14(17-12)13-15-8-16-18-13/h3-9H,1-2H3,(H,15,16,18).
What are the key properties of 4-(4-propan-2-yloxyphenyl)-2-(1H-1,2,4-triazol-5-yl)-1,3-thiazole?
4-(4-propan-2-yloxyphenyl)-2-(1H-1,2,4-triazol-5-yl)-1,3-thiazole has a molecular weight of 286.36 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-propan-2-yloxyphenyl)-2-(1H-1,2,4-triazol-5-yl)-1,3-thiazole is sourced from PubChem (CID 62945283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).