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

C17H24N4OS — CID 129001150

IUPAC2-(3,5-dimethylpyrazol-1-yl)-N-methyl-N-[(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl)methyl]acetamide
SMILESCc1cc(C)n(CC(=O)N(C)CC2CCCc3sc(C)nc32)n1
InChIInChI=1S/C17H24N4OS/c1-11-8-12(2)21(19-11)10-16(22)20(4)9-14-6-5-7-15-17(14)18-13(3)23-15/h8,14H,5-7,9-10H2,1-4H3
InChIKeyCTMALVMNJVCXJE-UHFFFAOYSA-N
MW332.47 g/mol
LogP2.84
Rot. Bonds4

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

2-(3,5-dimethylpyrazol-1-yl)-N-methyl-N-[(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl)methyl]acetamide (PubChem CID 129001150) has the molecular formula C17H24N4OS and a molecular weight of 332.47 g/mol. Its IUPAC name is 2-(3,5-dimethylpyrazol-1-yl)-N-methyl-N-[(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(3,5-dimethylpyrazol-1-yl)-N-methyl-N-[(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl)methyl]acetamide
PubChem CID129001150
Molecular FormulaC17H24N4OS
Molecular Weight332.47 g/mol
Exact Mass332.17
IUPAC Name2-(3,5-dimethylpyrazol-1-yl)-N-methyl-N-[(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl)methyl]acetamide
SMILESCc1cc(C)n(CC(=O)N(C)CC2CCCc3sc(C)nc32)n1
InChIInChI=1S/C17H24N4OS/c1-11-8-12(2)21(19-11)10-16(22)20(4)9-14-6-5-7-15-17(14)18-13(3)23-15/h8,14H,5-7,9-10H2,1-4H3
InChIKeyCTMALVMNJVCXJE-UHFFFAOYSA-N
XLogP2.84
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.47
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-N-methyl-N-[(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl)methyl]acetamide?
The IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-N-methyl-N-[(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl)methyl]acetamide (CID 129001150) is 2-(3,5-dimethylpyrazol-1-yl)-N-methyl-N-[(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl)methyl]acetamide.
What is the SMILES notation for 2-(3,5-dimethylpyrazol-1-yl)-N-methyl-N-[(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl)methyl]acetamide?
The canonical SMILES for 2-(3,5-dimethylpyrazol-1-yl)-N-methyl-N-[(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl)methyl]acetamide is Cc1cc(C)n(CC(=O)N(C)CC2CCCc3sc(C)nc32)n1.
What is the InChIKey of 2-(3,5-dimethylpyrazol-1-yl)-N-methyl-N-[(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl)methyl]acetamide?
The InChIKey is CTMALVMNJVCXJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4OS/c1-11-8-12(2)21(19-11)10-16(22)20(4)9-14-6-5-7-15-17(14)18-13(3)23-15/h8,14H,5-7,9-10H2,1-4H3.
What are the key properties of 2-(3,5-dimethylpyrazol-1-yl)-N-methyl-N-[(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl)methyl]acetamide?
2-(3,5-dimethylpyrazol-1-yl)-N-methyl-N-[(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl)methyl]acetamide has a molecular weight of 332.47 g/mol, XLogP of 2.84, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylpyrazol-1-yl)-N-methyl-N-[(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl)methyl]acetamide is sourced from PubChem (CID 129001150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).