N-[4-[(5-tert-butyltetrazol-1-yl)methyl]-1,3-thiazol-2-yl]-N-methylacetamide

C12H18N6OS — CID 47460989

IUPACN-[4-[(5-tert-butyltetrazol-1-yl)methyl]-1,3-thiazol-2-yl]-N-methylacetamide
SMILESCC(=O)N(C)c1nc(Cn2nnnc2C(C)(C)C)cs1
InChIInChI=1S/C12H18N6OS/c1-8(19)17(5)11-13-9(7-20-11)6-18-10(12(2,3)4)14-15-16-18/h7H,6H2,1-5H3
InChIKeyFNHJQMRVFVKINB-UHFFFAOYSA-N
MW294.38 g/mol
LogP1.46
Rot. Bonds3

About N-[4-[(5-tert-butyltetrazol-1-yl)methyl]-1,3-thiazol-2-yl]-N-methylacetamide

N-[4-[(5-tert-butyltetrazol-1-yl)methyl]-1,3-thiazol-2-yl]-N-methylacetamide (PubChem CID 47460989) has the molecular formula C12H18N6OS and a molecular weight of 294.38 g/mol. Its IUPAC name is N-[4-[(5-tert-butyltetrazol-1-yl)methyl]-1,3-thiazol-2-yl]-N-methylacetamide.

Molecular Properties

Compound NameN-[4-[(5-tert-butyltetrazol-1-yl)methyl]-1,3-thiazol-2-yl]-N-methylacetamide
PubChem CID47460989
Molecular FormulaC12H18N6OS
Molecular Weight294.38 g/mol
Exact Mass294.13
IUPAC NameN-[4-[(5-tert-butyltetrazol-1-yl)methyl]-1,3-thiazol-2-yl]-N-methylacetamide
SMILESCC(=O)N(C)c1nc(Cn2nnnc2C(C)(C)C)cs1
InChIInChI=1S/C12H18N6OS/c1-8(19)17(5)11-13-9(7-20-11)6-18-10(12(2,3)4)14-15-16-18/h7H,6H2,1-5H3
InChIKeyFNHJQMRVFVKINB-UHFFFAOYSA-N
XLogP1.46
TPSA76.80 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(5-tert-butyltetrazol-1-yl)methyl]-1,3-thiazol-2-yl]-N-methylacetamide?
The IUPAC name of N-[4-[(5-tert-butyltetrazol-1-yl)methyl]-1,3-thiazol-2-yl]-N-methylacetamide (CID 47460989) is N-[4-[(5-tert-butyltetrazol-1-yl)methyl]-1,3-thiazol-2-yl]-N-methylacetamide.
What is the SMILES notation for N-[4-[(5-tert-butyltetrazol-1-yl)methyl]-1,3-thiazol-2-yl]-N-methylacetamide?
The canonical SMILES for N-[4-[(5-tert-butyltetrazol-1-yl)methyl]-1,3-thiazol-2-yl]-N-methylacetamide is CC(=O)N(C)c1nc(Cn2nnnc2C(C)(C)C)cs1.
What is the InChIKey of N-[4-[(5-tert-butyltetrazol-1-yl)methyl]-1,3-thiazol-2-yl]-N-methylacetamide?
The InChIKey is FNHJQMRVFVKINB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6OS/c1-8(19)17(5)11-13-9(7-20-11)6-18-10(12(2,3)4)14-15-16-18/h7H,6H2,1-5H3.
What are the key properties of N-[4-[(5-tert-butyltetrazol-1-yl)methyl]-1,3-thiazol-2-yl]-N-methylacetamide?
N-[4-[(5-tert-butyltetrazol-1-yl)methyl]-1,3-thiazol-2-yl]-N-methylacetamide has a molecular weight of 294.38 g/mol, XLogP of 1.46, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(5-tert-butyltetrazol-1-yl)methyl]-1,3-thiazol-2-yl]-N-methylacetamide is sourced from PubChem (CID 47460989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).