2-methyl-4-(tetrazol-1-ylmethyl)-1,3-thiazole

C6H7N5S — CID 126625840

IUPAC2-methyl-4-(tetrazol-1-ylmethyl)-1,3-thiazole
SMILESCc1nc(Cn2cnnn2)cs1
InChIInChI=1S/C6H7N5S/c1-5-8-6(3-12-5)2-11-4-7-9-10-11/h3-4H,2H2,1H3
InChIKeyWEAMCCHLYNCQLL-UHFFFAOYSA-N
MW181.22 g/mol
LogP0.49
Rot. Bonds2

About 2-methyl-4-(tetrazol-1-ylmethyl)-1,3-thiazole

2-methyl-4-(tetrazol-1-ylmethyl)-1,3-thiazole (PubChem CID 126625840) has the molecular formula C6H7N5S and a molecular weight of 181.22 g/mol. Its IUPAC name is 2-methyl-4-(tetrazol-1-ylmethyl)-1,3-thiazole.

Molecular Properties

Compound Name2-methyl-4-(tetrazol-1-ylmethyl)-1,3-thiazole
PubChem CID126625840
Molecular FormulaC6H7N5S
Molecular Weight181.22 g/mol
Exact Mass181.04
IUPAC Name2-methyl-4-(tetrazol-1-ylmethyl)-1,3-thiazole
SMILESCc1nc(Cn2cnnn2)cs1
InChIInChI=1S/C6H7N5S/c1-5-8-6(3-12-5)2-11-4-7-9-10-11/h3-4H,2H2,1H3
InChIKeyWEAMCCHLYNCQLL-UHFFFAOYSA-N
XLogP0.49
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.22
LogP ≤ 50.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-Propyl-4-[[2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]methyl]-1,3-thiazole
CID 53587788
2-Propyl-4-[[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,3-thiazole
CID 56781100
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-(1H-1,2,4-triazol-1-yl)propan-2-amine
CID 50954365
4-[(3,5-Dibromo-1,2,4-triazol-1-yl)methyl]-1,3-thiazole
CID 71979618
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
1-(4-isopropyl-4H-1,2,4-triazol-3-yl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)methanamine
CID 77087286
4-ethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-triazol-3-amine
CID 126842212
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-(1-Butyltetrazol-5-yl)sulfanyl-4-methyl-1,3-thiazole
CID 18708042
2-(1-Ethyltetrazol-5-yl)sulfanyl-4-methyl-1,3-thiazole
CID 18708132

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(tetrazol-1-ylmethyl)-1,3-thiazole?
The IUPAC name of 2-methyl-4-(tetrazol-1-ylmethyl)-1,3-thiazole (CID 126625840) is 2-methyl-4-(tetrazol-1-ylmethyl)-1,3-thiazole.
What is the SMILES notation for 2-methyl-4-(tetrazol-1-ylmethyl)-1,3-thiazole?
The canonical SMILES for 2-methyl-4-(tetrazol-1-ylmethyl)-1,3-thiazole is Cc1nc(Cn2cnnn2)cs1.
What is the InChIKey of 2-methyl-4-(tetrazol-1-ylmethyl)-1,3-thiazole?
The InChIKey is WEAMCCHLYNCQLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N5S/c1-5-8-6(3-12-5)2-11-4-7-9-10-11/h3-4H,2H2,1H3.
What are the key properties of 2-methyl-4-(tetrazol-1-ylmethyl)-1,3-thiazole?
2-methyl-4-(tetrazol-1-ylmethyl)-1,3-thiazole has a molecular weight of 181.22 g/mol, XLogP of 0.49, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(tetrazol-1-ylmethyl)-1,3-thiazole is sourced from PubChem (CID 126625840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).