N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide

C16H22N4OS — CID 24611851

IUPACN-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
SMILESCc1nn(C)c(C)c1CC(=O)Nc1nc2c(s1)CCCCC2
InChIInChI=1S/C16H22N4OS/c1-10-12(11(2)20(3)19-10)9-15(21)18-16-17-13-7-5-4-6-8-14(13)22-16/h4-9H2,1-3H3,(H,17,18,21)
InChIKeySQKLGRDOLBARGZ-UHFFFAOYSA-N
MW318.45 g/mol
LogP2.94
Rot. Bonds3

About N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide

N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide (PubChem CID 24611851) has the molecular formula C16H22N4OS and a molecular weight of 318.45 g/mol. Its IUPAC name is N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide.

Molecular Properties

Compound NameN-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
PubChem CID24611851
Molecular FormulaC16H22N4OS
Molecular Weight318.45 g/mol
Exact Mass318.15
IUPAC NameN-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
SMILESCc1nn(C)c(C)c1CC(=O)Nc1nc2c(s1)CCCCC2
InChIInChI=1S/C16H22N4OS/c1-10-12(11(2)20(3)19-10)9-15(21)18-16-17-13-7-5-4-6-8-14(13)22-16/h4-9H2,1-3H3,(H,17,18,21)
InChIKeySQKLGRDOLBARGZ-UHFFFAOYSA-N
XLogP2.94
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.45
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The IUPAC name of N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide (CID 24611851) is N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide.
What is the SMILES notation for N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The canonical SMILES for N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide is Cc1nn(C)c(C)c1CC(=O)Nc1nc2c(s1)CCCCC2.
What is the InChIKey of N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The InChIKey is SQKLGRDOLBARGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4OS/c1-10-12(11(2)20(3)19-10)9-15(21)18-16-17-13-7-5-4-6-8-14(13)22-16/h4-9H2,1-3H3,(H,17,18,21).
What are the key properties of N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide has a molecular weight of 318.45 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide is sourced from PubChem (CID 24611851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).