N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide

C15H16N6O3S2 — CID 24686160

IUPACN-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide
SMILESCOc1ccc(-c2csc(NC(=O)CSc3nnnn3C)n2)c(OC)c1
InChIInChI=1S/C15H16N6O3S2/c1-21-15(18-19-20-21)26-8-13(22)17-14-16-11(7-25-14)10-5-4-9(23-2)6-12(10)24-3/h4-7H,8H2,1-3H3,(H,16,17,22)
InChIKeyBRZJFWWKFPAQHV-UHFFFAOYSA-N
MW392.47 g/mol
LogP2.08
Rot. Bonds7

About N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide

N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide (PubChem CID 24686160) has the molecular formula C15H16N6O3S2 and a molecular weight of 392.47 g/mol. Its IUPAC name is N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide
PubChem CID24686160
Molecular FormulaC15H16N6O3S2
Molecular Weight392.47 g/mol
Exact Mass392.07
IUPAC NameN-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide
SMILESCOc1ccc(-c2csc(NC(=O)CSc3nnnn3C)n2)c(OC)c1
InChIInChI=1S/C15H16N6O3S2/c1-21-15(18-19-20-21)26-8-13(22)17-14-16-11(7-25-14)10-5-4-9(23-2)6-12(10)24-3/h4-7H,8H2,1-3H3,(H,16,17,22)
InChIKeyBRZJFWWKFPAQHV-UHFFFAOYSA-N
XLogP2.08
TPSA104.05 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.47
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide?
The IUPAC name of N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide (CID 24686160) is N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide.
What is the SMILES notation for N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide?
The canonical SMILES for N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide is COc1ccc(-c2csc(NC(=O)CSc3nnnn3C)n2)c(OC)c1.
What is the InChIKey of N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide?
The InChIKey is BRZJFWWKFPAQHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N6O3S2/c1-21-15(18-19-20-21)26-8-13(22)17-14-16-11(7-25-14)10-5-4-9(23-2)6-12(10)24-3/h4-7H,8H2,1-3H3,(H,16,17,22).
What are the key properties of N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide?
N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide has a molecular weight of 392.47 g/mol, XLogP of 2.08, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide is sourced from PubChem (CID 24686160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).