2-(3,5-dimethylpyrazol-1-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide

C14H18N4OS — CID 894344

IUPAC2-(3,5-dimethylpyrazol-1-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
SMILESCc1cc(C)n(CC(=O)Nc2nc3c(s2)CCCC3)n1
InChIInChI=1S/C14H18N4OS/c1-9-7-10(2)18(17-9)8-13(19)16-14-15-11-5-3-4-6-12(11)20-14/h7H,3-6,8H2,1-2H3,(H,15,16,19)
InChIKeyPWJGBAHKQFIWKD-UHFFFAOYSA-N
MW290.39 g/mol
LogP2.47
Rot. Bonds3

About 2-(3,5-dimethylpyrazol-1-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide

2-(3,5-dimethylpyrazol-1-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide (PubChem CID 894344) has the molecular formula C14H18N4OS and a molecular weight of 290.39 g/mol. Its IUPAC name is 2-(3,5-dimethylpyrazol-1-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(3,5-dimethylpyrazol-1-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
PubChem CID894344
Molecular FormulaC14H18N4OS
Molecular Weight290.39 g/mol
Exact Mass290.12
IUPAC Name2-(3,5-dimethylpyrazol-1-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
SMILESCc1cc(C)n(CC(=O)Nc2nc3c(s2)CCCC3)n1
InChIInChI=1S/C14H18N4OS/c1-9-7-10(2)18(17-9)8-13(19)16-14-15-11-5-3-4-6-12(11)20-14/h7H,3-6,8H2,1-2H3,(H,15,16,19)
InChIKeyPWJGBAHKQFIWKD-UHFFFAOYSA-N
XLogP2.47
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide?
The IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide (CID 894344) is 2-(3,5-dimethylpyrazol-1-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide.
What is the SMILES notation for 2-(3,5-dimethylpyrazol-1-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide?
The canonical SMILES for 2-(3,5-dimethylpyrazol-1-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide is Cc1cc(C)n(CC(=O)Nc2nc3c(s2)CCCC3)n1.
What is the InChIKey of 2-(3,5-dimethylpyrazol-1-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide?
The InChIKey is PWJGBAHKQFIWKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4OS/c1-9-7-10(2)18(17-9)8-13(19)16-14-15-11-5-3-4-6-12(11)20-14/h7H,3-6,8H2,1-2H3,(H,15,16,19).
What are the key properties of 2-(3,5-dimethylpyrazol-1-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide?
2-(3,5-dimethylpyrazol-1-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide has a molecular weight of 290.39 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylpyrazol-1-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide is sourced from PubChem (CID 894344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).