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

C10H15N5S — CID 75425650

IUPAC4,5-dimethyl-2-[(5-propyltetrazol-1-yl)methyl]-1,3-thiazole
SMILESCCCc1nnnn1Cc1nc(C)c(C)s1
InChIInChI=1S/C10H15N5S/c1-4-5-9-12-13-14-15(9)6-10-11-7(2)8(3)16-10/h4-6H2,1-3H3
InChIKeySBCKMIXWYFPLMI-UHFFFAOYSA-N
MW237.33 g/mol
LogP1.75
Rot. Bonds4

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

4,5-dimethyl-2-[(5-propyltetrazol-1-yl)methyl]-1,3-thiazole (PubChem CID 75425650) has the molecular formula C10H15N5S and a molecular weight of 237.33 g/mol. Its IUPAC name is 4,5-dimethyl-2-[(5-propyltetrazol-1-yl)methyl]-1,3-thiazole.

Molecular Properties

Compound Name4,5-dimethyl-2-[(5-propyltetrazol-1-yl)methyl]-1,3-thiazole
PubChem CID75425650
Molecular FormulaC10H15N5S
Molecular Weight237.33 g/mol
Exact Mass237.10
IUPAC Name4,5-dimethyl-2-[(5-propyltetrazol-1-yl)methyl]-1,3-thiazole
SMILESCCCc1nnnn1Cc1nc(C)c(C)s1
InChIInChI=1S/C10H15N5S/c1-4-5-9-12-13-14-15(9)6-10-11-7(2)8(3)16-10/h4-6H2,1-3H3
InChIKeySBCKMIXWYFPLMI-UHFFFAOYSA-N
XLogP1.75
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.33
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-2-[(5-propyltetrazol-1-yl)methyl]-1,3-thiazole?
The IUPAC name of 4,5-dimethyl-2-[(5-propyltetrazol-1-yl)methyl]-1,3-thiazole (CID 75425650) is 4,5-dimethyl-2-[(5-propyltetrazol-1-yl)methyl]-1,3-thiazole.
What is the SMILES notation for 4,5-dimethyl-2-[(5-propyltetrazol-1-yl)methyl]-1,3-thiazole?
The canonical SMILES for 4,5-dimethyl-2-[(5-propyltetrazol-1-yl)methyl]-1,3-thiazole is CCCc1nnnn1Cc1nc(C)c(C)s1.
What is the InChIKey of 4,5-dimethyl-2-[(5-propyltetrazol-1-yl)methyl]-1,3-thiazole?
The InChIKey is SBCKMIXWYFPLMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5S/c1-4-5-9-12-13-14-15(9)6-10-11-7(2)8(3)16-10/h4-6H2,1-3H3.
What are the key properties of 4,5-dimethyl-2-[(5-propyltetrazol-1-yl)methyl]-1,3-thiazole?
4,5-dimethyl-2-[(5-propyltetrazol-1-yl)methyl]-1,3-thiazole has a molecular weight of 237.33 g/mol, XLogP of 1.75, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-2-[(5-propyltetrazol-1-yl)methyl]-1,3-thiazole is sourced from PubChem (CID 75425650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).