2-cyclopentyl-4-[(5-thiophen-3-yltetrazol-2-yl)methyl]-1,3-thiazole

C14H15N5S2 — CID 136579660

IUPAC2-cyclopentyl-4-[(5-thiophen-3-yltetrazol-2-yl)methyl]-1,3-thiazole
SMILESc1cc(-c2nnn(Cc3csc(C4CCCC4)n3)n2)cs1
InChIInChI=1S/C14H15N5S2/c1-2-4-10(3-1)14-15-12(9-21-14)7-19-17-13(16-18-19)11-5-6-20-8-11/h5-6,8-10H,1-4,7H2
InChIKeyTVMIHLVWWCZFAB-UHFFFAOYSA-N
MW317.44 g/mol
LogP3.56
Rot. Bonds4

About 2-cyclopentyl-4-[(5-thiophen-3-yltetrazol-2-yl)methyl]-1,3-thiazole

2-cyclopentyl-4-[(5-thiophen-3-yltetrazol-2-yl)methyl]-1,3-thiazole (PubChem CID 136579660) has the molecular formula C14H15N5S2 and a molecular weight of 317.44 g/mol. Its IUPAC name is 2-cyclopentyl-4-[(5-thiophen-3-yltetrazol-2-yl)methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-cyclopentyl-4-[(5-thiophen-3-yltetrazol-2-yl)methyl]-1,3-thiazole
PubChem CID136579660
Molecular FormulaC14H15N5S2
Molecular Weight317.44 g/mol
Exact Mass317.08
IUPAC Name2-cyclopentyl-4-[(5-thiophen-3-yltetrazol-2-yl)methyl]-1,3-thiazole
SMILESc1cc(-c2nnn(Cc3csc(C4CCCC4)n3)n2)cs1
InChIInChI=1S/C14H15N5S2/c1-2-4-10(3-1)14-15-12(9-21-14)7-19-17-13(16-18-19)11-5-6-20-8-11/h5-6,8-10H,1-4,7H2
InChIKeyTVMIHLVWWCZFAB-UHFFFAOYSA-N
XLogP3.56
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.44
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-4-[(5-thiophen-3-yltetrazol-2-yl)methyl]-1,3-thiazole?
The IUPAC name of 2-cyclopentyl-4-[(5-thiophen-3-yltetrazol-2-yl)methyl]-1,3-thiazole (CID 136579660) is 2-cyclopentyl-4-[(5-thiophen-3-yltetrazol-2-yl)methyl]-1,3-thiazole.
What is the SMILES notation for 2-cyclopentyl-4-[(5-thiophen-3-yltetrazol-2-yl)methyl]-1,3-thiazole?
The canonical SMILES for 2-cyclopentyl-4-[(5-thiophen-3-yltetrazol-2-yl)methyl]-1,3-thiazole is c1cc(-c2nnn(Cc3csc(C4CCCC4)n3)n2)cs1.
What is the InChIKey of 2-cyclopentyl-4-[(5-thiophen-3-yltetrazol-2-yl)methyl]-1,3-thiazole?
The InChIKey is TVMIHLVWWCZFAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5S2/c1-2-4-10(3-1)14-15-12(9-21-14)7-19-17-13(16-18-19)11-5-6-20-8-11/h5-6,8-10H,1-4,7H2.
What are the key properties of 2-cyclopentyl-4-[(5-thiophen-3-yltetrazol-2-yl)methyl]-1,3-thiazole?
2-cyclopentyl-4-[(5-thiophen-3-yltetrazol-2-yl)methyl]-1,3-thiazole has a molecular weight of 317.44 g/mol, XLogP of 3.56, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-4-[(5-thiophen-3-yltetrazol-2-yl)methyl]-1,3-thiazole is sourced from PubChem (CID 136579660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).