2-[(5-cyclopentyltetrazol-1-yl)methyl]-4,5-dimethyl-1,3-thiazole

C12H17N5S — CID 75425645

IUPAC2-[(5-cyclopentyltetrazol-1-yl)methyl]-4,5-dimethyl-1,3-thiazole
SMILESCc1nc(Cn2nnnc2C2CCCC2)sc1C
InChIInChI=1S/C12H17N5S/c1-8-9(2)18-11(13-8)7-17-12(14-15-16-17)10-5-3-4-6-10/h10H,3-7H2,1-2H3
InChIKeyXCIWZCKSFKJNLY-UHFFFAOYSA-N
MW263.37 g/mol
LogP2.45
Rot. Bonds3

About 2-[(5-cyclopentyltetrazol-1-yl)methyl]-4,5-dimethyl-1,3-thiazole

2-[(5-cyclopentyltetrazol-1-yl)methyl]-4,5-dimethyl-1,3-thiazole (PubChem CID 75425645) has the molecular formula C12H17N5S and a molecular weight of 263.37 g/mol. Its IUPAC name is 2-[(5-cyclopentyltetrazol-1-yl)methyl]-4,5-dimethyl-1,3-thiazole.

Molecular Properties

Compound Name2-[(5-cyclopentyltetrazol-1-yl)methyl]-4,5-dimethyl-1,3-thiazole
PubChem CID75425645
Molecular FormulaC12H17N5S
Molecular Weight263.37 g/mol
Exact Mass263.12
IUPAC Name2-[(5-cyclopentyltetrazol-1-yl)methyl]-4,5-dimethyl-1,3-thiazole
SMILESCc1nc(Cn2nnnc2C2CCCC2)sc1C
InChIInChI=1S/C12H17N5S/c1-8-9(2)18-11(13-8)7-17-12(14-15-16-17)10-5-3-4-6-10/h10H,3-7H2,1-2H3
InChIKeyXCIWZCKSFKJNLY-UHFFFAOYSA-N
XLogP2.45
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.37
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-cyclopentyltetrazol-1-yl)methyl]-4,5-dimethyl-1,3-thiazole?
The IUPAC name of 2-[(5-cyclopentyltetrazol-1-yl)methyl]-4,5-dimethyl-1,3-thiazole (CID 75425645) is 2-[(5-cyclopentyltetrazol-1-yl)methyl]-4,5-dimethyl-1,3-thiazole.
What is the SMILES notation for 2-[(5-cyclopentyltetrazol-1-yl)methyl]-4,5-dimethyl-1,3-thiazole?
The canonical SMILES for 2-[(5-cyclopentyltetrazol-1-yl)methyl]-4,5-dimethyl-1,3-thiazole is Cc1nc(Cn2nnnc2C2CCCC2)sc1C.
What is the InChIKey of 2-[(5-cyclopentyltetrazol-1-yl)methyl]-4,5-dimethyl-1,3-thiazole?
The InChIKey is XCIWZCKSFKJNLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5S/c1-8-9(2)18-11(13-8)7-17-12(14-15-16-17)10-5-3-4-6-10/h10H,3-7H2,1-2H3.
What are the key properties of 2-[(5-cyclopentyltetrazol-1-yl)methyl]-4,5-dimethyl-1,3-thiazole?
2-[(5-cyclopentyltetrazol-1-yl)methyl]-4,5-dimethyl-1,3-thiazole has a molecular weight of 263.37 g/mol, XLogP of 2.45, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-cyclopentyltetrazol-1-yl)methyl]-4,5-dimethyl-1,3-thiazole is sourced from PubChem (CID 75425645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).