2-amino-N-methyl-2-(4-methylphenyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)acetamide

C18H23N3OS — CID 120670304

IUPAC2-amino-N-methyl-2-(4-methylphenyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)acetamide
SMILESCc1ccc(C(N)C(=O)N(C)Cc2nc3c(s2)CCCC3)cc1
InChIInChI=1S/C18H23N3OS/c1-12-7-9-13(10-8-12)17(19)18(22)21(2)11-16-20-14-5-3-4-6-15(14)23-16/h7-10,17H,3-6,11,19H2,1-2H3
InChIKeyYQFBTMKCCRJSJO-UHFFFAOYSA-N
MW329.47 g/mol
LogP2.99
Rot. Bonds4

About 2-amino-N-methyl-2-(4-methylphenyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)acetamide

2-amino-N-methyl-2-(4-methylphenyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)acetamide (PubChem CID 120670304) has the molecular formula C18H23N3OS and a molecular weight of 329.47 g/mol. Its IUPAC name is 2-amino-N-methyl-2-(4-methylphenyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-amino-N-methyl-2-(4-methylphenyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)acetamide
PubChem CID120670304
Molecular FormulaC18H23N3OS
Molecular Weight329.47 g/mol
Exact Mass329.16
IUPAC Name2-amino-N-methyl-2-(4-methylphenyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)acetamide
SMILESCc1ccc(C(N)C(=O)N(C)Cc2nc3c(s2)CCCC3)cc1
InChIInChI=1S/C18H23N3OS/c1-12-7-9-13(10-8-12)17(19)18(22)21(2)11-16-20-14-5-3-4-6-15(14)23-16/h7-10,17H,3-6,11,19H2,1-2H3
InChIKeyYQFBTMKCCRJSJO-UHFFFAOYSA-N
XLogP2.99
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.47
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-methyl-2-(4-methylphenyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)acetamide?
The IUPAC name of 2-amino-N-methyl-2-(4-methylphenyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)acetamide (CID 120670304) is 2-amino-N-methyl-2-(4-methylphenyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)acetamide.
What is the SMILES notation for 2-amino-N-methyl-2-(4-methylphenyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)acetamide?
The canonical SMILES for 2-amino-N-methyl-2-(4-methylphenyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)acetamide is Cc1ccc(C(N)C(=O)N(C)Cc2nc3c(s2)CCCC3)cc1.
What is the InChIKey of 2-amino-N-methyl-2-(4-methylphenyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)acetamide?
The InChIKey is YQFBTMKCCRJSJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3OS/c1-12-7-9-13(10-8-12)17(19)18(22)21(2)11-16-20-14-5-3-4-6-15(14)23-16/h7-10,17H,3-6,11,19H2,1-2H3.
What are the key properties of 2-amino-N-methyl-2-(4-methylphenyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)acetamide?
2-amino-N-methyl-2-(4-methylphenyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)acetamide has a molecular weight of 329.47 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-methyl-2-(4-methylphenyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)acetamide is sourced from PubChem (CID 120670304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).