2-(furan-3-yl)-4-[(5-propyltetrazol-1-yl)methyl]-1,3-thiazole

C12H13N5OS — CID 75462976

IUPAC2-(furan-3-yl)-4-[(5-propyltetrazol-1-yl)methyl]-1,3-thiazole
SMILESCCCc1nnnn1Cc1csc(-c2ccoc2)n1
InChIInChI=1S/C12H13N5OS/c1-2-3-11-14-15-16-17(11)6-10-8-19-12(13-10)9-4-5-18-7-9/h4-5,7-8H,2-3,6H2,1H3
InChIKeySAXUFIVHXYFPTD-UHFFFAOYSA-N
MW275.34 g/mol
LogP2.39
Rot. Bonds5

About 2-(furan-3-yl)-4-[(5-propyltetrazol-1-yl)methyl]-1,3-thiazole

2-(furan-3-yl)-4-[(5-propyltetrazol-1-yl)methyl]-1,3-thiazole (PubChem CID 75462976) has the molecular formula C12H13N5OS and a molecular weight of 275.34 g/mol. Its IUPAC name is 2-(furan-3-yl)-4-[(5-propyltetrazol-1-yl)methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-(furan-3-yl)-4-[(5-propyltetrazol-1-yl)methyl]-1,3-thiazole
PubChem CID75462976
Molecular FormulaC12H13N5OS
Molecular Weight275.34 g/mol
Exact Mass275.08
IUPAC Name2-(furan-3-yl)-4-[(5-propyltetrazol-1-yl)methyl]-1,3-thiazole
SMILESCCCc1nnnn1Cc1csc(-c2ccoc2)n1
InChIInChI=1S/C12H13N5OS/c1-2-3-11-14-15-16-17(11)6-10-8-19-12(13-10)9-4-5-18-7-9/h4-5,7-8H,2-3,6H2,1H3
InChIKeySAXUFIVHXYFPTD-UHFFFAOYSA-N
XLogP2.39
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.34
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(furan-3-yl)-4-[(5-propyltetrazol-1-yl)methyl]-1,3-thiazole?
The IUPAC name of 2-(furan-3-yl)-4-[(5-propyltetrazol-1-yl)methyl]-1,3-thiazole (CID 75462976) is 2-(furan-3-yl)-4-[(5-propyltetrazol-1-yl)methyl]-1,3-thiazole.
What is the SMILES notation for 2-(furan-3-yl)-4-[(5-propyltetrazol-1-yl)methyl]-1,3-thiazole?
The canonical SMILES for 2-(furan-3-yl)-4-[(5-propyltetrazol-1-yl)methyl]-1,3-thiazole is CCCc1nnnn1Cc1csc(-c2ccoc2)n1.
What is the InChIKey of 2-(furan-3-yl)-4-[(5-propyltetrazol-1-yl)methyl]-1,3-thiazole?
The InChIKey is SAXUFIVHXYFPTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5OS/c1-2-3-11-14-15-16-17(11)6-10-8-19-12(13-10)9-4-5-18-7-9/h4-5,7-8H,2-3,6H2,1H3.
What are the key properties of 2-(furan-3-yl)-4-[(5-propyltetrazol-1-yl)methyl]-1,3-thiazole?
2-(furan-3-yl)-4-[(5-propyltetrazol-1-yl)methyl]-1,3-thiazole has a molecular weight of 275.34 g/mol, XLogP of 2.39, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-3-yl)-4-[(5-propyltetrazol-1-yl)methyl]-1,3-thiazole is sourced from PubChem (CID 75462976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).