4-tert-butyl-2-[(5-methyltetrazol-1-yl)methyl]-1,3-thiazole

C10H15N5S — CID 84587424

IUPAC4-tert-butyl-2-[(5-methyltetrazol-1-yl)methyl]-1,3-thiazole
SMILESCc1nnnn1Cc1nc(C(C)(C)C)cs1
InChIInChI=1S/C10H15N5S/c1-7-12-13-14-15(7)5-9-11-8(6-16-9)10(2,3)4/h6H,5H2,1-4H3
InChIKeyGRDNVBHWXCIESP-UHFFFAOYSA-N
MW237.33 g/mol
LogP1.78
Rot. Bonds2

About 4-tert-butyl-2-[(5-methyltetrazol-1-yl)methyl]-1,3-thiazole

4-tert-butyl-2-[(5-methyltetrazol-1-yl)methyl]-1,3-thiazole (PubChem CID 84587424) has the molecular formula C10H15N5S and a molecular weight of 237.33 g/mol. Its IUPAC name is 4-tert-butyl-2-[(5-methyltetrazol-1-yl)methyl]-1,3-thiazole.

Molecular Properties

Compound Name4-tert-butyl-2-[(5-methyltetrazol-1-yl)methyl]-1,3-thiazole
PubChem CID84587424
Molecular FormulaC10H15N5S
Molecular Weight237.33 g/mol
Exact Mass237.10
IUPAC Name4-tert-butyl-2-[(5-methyltetrazol-1-yl)methyl]-1,3-thiazole
SMILESCc1nnnn1Cc1nc(C(C)(C)C)cs1
InChIInChI=1S/C10H15N5S/c1-7-12-13-14-15(7)5-9-11-8(6-16-9)10(2,3)4/h6H,5H2,1-4H3
InChIKeyGRDNVBHWXCIESP-UHFFFAOYSA-N
XLogP1.78
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.33
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-tert-butyl-2-[(5-methyltetrazol-1-yl)methyl]-1,3-thiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(4-Tert-butyl-1,3-thiazol-2-yl)methyl]-1,2,4-triazole-3-carbonitrile
CID 71972043
4-[(5-Tert-butyltetrazol-1-yl)methyl]-2-ethyl-1,3-thiazole
CID 75417349
2-[(5-Ethyltetrazol-1-yl)methyl]-4-methyl-1,3-thiazole
CID 75425630
2-[1-[1-(1-Methyltetrazol-5-yl)ethyl]piperidin-3-yl]-4-propan-2-yl-1,3-thiazole
CID 121533628
2-[(5-Methyltetrazol-1-yl)methyl]-4-(trifluoromethyl)-1,3-thiazole
CID 136517243
2-Ethyl-4-[(1-propan-2-yltetrazol-5-yl)sulfanylmethyl]-1,3-thiazole
CID 47145744
2-[(3,5-Diethyl-1,2,4-triazol-1-yl)methyl]-4-methyl-1,3-thiazole
CID 71855811
4-Tert-butyl-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-1,3-thiazole
CID 71855937
Ethane;4-methyl-2-(5-propan-2-yl-4-propyl-1,2,4-triazol-3-yl)-1,3-thiazole
CID 145556941
N,N-dimethyl-2-[5-(methylsulfanylmethyl)tetrazol-1-yl]ethanamine;4-ethyl-2-methyl-1,3-thiazole;methane
CID 157662955
N,N-dimethyl-2-[5-(methylsulfanylmethyl)tetrazol-1-yl]ethanamine;4-ethyl-2-methyl-1,3-thiazole
CID 160349729
1,5-Dimethyltetrazole;2,4-dimethyl-1,3-thiazole
CID 175045394

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-[(5-methyltetrazol-1-yl)methyl]-1,3-thiazole?
The IUPAC name of 4-tert-butyl-2-[(5-methyltetrazol-1-yl)methyl]-1,3-thiazole (CID 84587424) is 4-tert-butyl-2-[(5-methyltetrazol-1-yl)methyl]-1,3-thiazole.
What is the SMILES notation for 4-tert-butyl-2-[(5-methyltetrazol-1-yl)methyl]-1,3-thiazole?
The canonical SMILES for 4-tert-butyl-2-[(5-methyltetrazol-1-yl)methyl]-1,3-thiazole is Cc1nnnn1Cc1nc(C(C)(C)C)cs1.
What is the InChIKey of 4-tert-butyl-2-[(5-methyltetrazol-1-yl)methyl]-1,3-thiazole?
The InChIKey is GRDNVBHWXCIESP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5S/c1-7-12-13-14-15(7)5-9-11-8(6-16-9)10(2,3)4/h6H,5H2,1-4H3.
What are the key properties of 4-tert-butyl-2-[(5-methyltetrazol-1-yl)methyl]-1,3-thiazole?
4-tert-butyl-2-[(5-methyltetrazol-1-yl)methyl]-1,3-thiazole has a molecular weight of 237.33 g/mol, XLogP of 1.78, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-[(5-methyltetrazol-1-yl)methyl]-1,3-thiazole is sourced from PubChem (CID 84587424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).