1-benzyl-N-[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]triazole-4-carboxamide

C18H15N5O2S — CID 31859752

IUPAC1-benzyl-N-[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]triazole-4-carboxamide
SMILESCc1ccc(-c2csc(NC(=O)c3cn(Cc4ccccc4)nn3)n2)o1
InChIInChI=1S/C18H15N5O2S/c1-12-7-8-16(25-12)15-11-26-18(19-15)20-17(24)14-10-23(22-21-14)9-13-5-3-2-4-6-13/h2-8,10-11H,9H2,1H3,(H,19,20,24)
InChIKeyFQWXTZYQGXALOR-UHFFFAOYSA-N
MW365.42 g/mol
LogP3.60
Rot. Bonds5

About 1-benzyl-N-[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]triazole-4-carboxamide

1-benzyl-N-[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]triazole-4-carboxamide (PubChem CID 31859752) has the molecular formula C18H15N5O2S and a molecular weight of 365.42 g/mol. Its IUPAC name is 1-benzyl-N-[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]triazole-4-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]triazole-4-carboxamide
PubChem CID31859752
Molecular FormulaC18H15N5O2S
Molecular Weight365.42 g/mol
Exact Mass365.09
IUPAC Name1-benzyl-N-[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]triazole-4-carboxamide
SMILESCc1ccc(-c2csc(NC(=O)c3cn(Cc4ccccc4)nn3)n2)o1
InChIInChI=1S/C18H15N5O2S/c1-12-7-8-16(25-12)15-11-26-18(19-15)20-17(24)14-10-23(22-21-14)9-13-5-3-2-4-6-13/h2-8,10-11H,9H2,1H3,(H,19,20,24)
InChIKeyFQWXTZYQGXALOR-UHFFFAOYSA-N
XLogP3.60
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.42
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-benzyl-N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]triazole-4-carboxamide
CID 31772694
1-benzyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)triazole-4-carboxamide
CID 18152907
N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-1-(pyridin-3-ylmethyl)triazole-4-carboxamide
CID 75467949
1-benzyl-N-(6-methoxy-1,3-benzothiazol-2-yl)triazole-4-carboxamide
CID 31031821
1-benzyl-N-(2,3-dimethylphenyl)triazole-4-carboxamide
CID 18146607
2-methyl-N-[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]propanamide
CID 58181819
1-benzyl-N-[2-(4-methylphenoxy)phenyl]triazole-4-carboxamide
CID 18152774
3-methoxy-N-[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]naphthalene-2-carboxamide
CID 5075767
1-benzyl-N-[5-(4-propan-2-ylphenyl)-1,3,4-thiadiazol-2-yl]triazole-4-carboxamide
CID 24620826
1-benzyltriazole-4-carbonyl chloride
CID 87720228
N-(2-acetamidoethyl)-1-benzyltriazole-4-carboxamide
CID 35052567
N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-1-[(3-methyloxetan-3-yl)methyl]triazole-4-carboxamide
CID 99821895

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]triazole-4-carboxamide?
The IUPAC name of 1-benzyl-N-[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]triazole-4-carboxamide (CID 31859752) is 1-benzyl-N-[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]triazole-4-carboxamide.
What is the SMILES notation for 1-benzyl-N-[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]triazole-4-carboxamide?
The canonical SMILES for 1-benzyl-N-[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]triazole-4-carboxamide is Cc1ccc(-c2csc(NC(=O)c3cn(Cc4ccccc4)nn3)n2)o1.
What is the InChIKey of 1-benzyl-N-[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]triazole-4-carboxamide?
The InChIKey is FQWXTZYQGXALOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5O2S/c1-12-7-8-16(25-12)15-11-26-18(19-15)20-17(24)14-10-23(22-21-14)9-13-5-3-2-4-6-13/h2-8,10-11H,9H2,1H3,(H,19,20,24).
What are the key properties of 1-benzyl-N-[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]triazole-4-carboxamide?
1-benzyl-N-[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]triazole-4-carboxamide has a molecular weight of 365.42 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]triazole-4-carboxamide is sourced from PubChem (CID 31859752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).