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

C13H15N3OS2 — CID 70698682

IUPACN-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-(1,3-thiazol-2-yl)acetamide
SMILESCN(C(=O)Cc1nccs1)c1nc2c(s1)CCCC2
InChIInChI=1S/C13H15N3OS2/c1-16(12(17)8-11-14-6-7-18-11)13-15-9-4-2-3-5-10(9)19-13/h6-7H,2-5,8H2,1H3
InChIKeyYICOJYUDCAIOFC-UHFFFAOYSA-N
MW293.42 g/mol
LogP2.68
Rot. Bonds3

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

N-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-(1,3-thiazol-2-yl)acetamide (PubChem CID 70698682) has the molecular formula C13H15N3OS2 and a molecular weight of 293.42 g/mol. Its IUPAC name is N-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound NameN-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-(1,3-thiazol-2-yl)acetamide
PubChem CID70698682
Molecular FormulaC13H15N3OS2
Molecular Weight293.42 g/mol
Exact Mass293.07
IUPAC NameN-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-(1,3-thiazol-2-yl)acetamide
SMILESCN(C(=O)Cc1nccs1)c1nc2c(s1)CCCC2
InChIInChI=1S/C13H15N3OS2/c1-16(12(17)8-11-14-6-7-18-11)13-15-9-4-2-3-5-10(9)19-13/h6-7H,2-5,8H2,1H3
InChIKeyYICOJYUDCAIOFC-UHFFFAOYSA-N
XLogP2.68
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.42
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-2-phenyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
CID 71295778
N-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-thiophen-3-ylacetamide
CID 70680626
2-[2-(methoxymethyl)phenyl]-N-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
CID 73424678
2-(2-methoxyphenyl)-N-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
CID 70680628
N-ethyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-thiophen-2-ylacetamide
CID 70698689
2-(2,3-dihydro-1,4-benzodioxin-5-yloxy)-N-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
CID 166506910
N-propan-2-yl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-thiophen-2-ylacetamide
CID 71295783
N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)thieno[2,3-c]pyridine-7-carboxamide
CID 126825670
N-benzoyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide
CID 6737488
ethyl 2-(4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[d][1,3]thiazol-2-yl)acetate
CID 28942100
2-(2-ethoxyphenyl)-N-(2-methoxyphenyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
CID 71306428
N-methyl-2-(methylamino)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)acetamide;hydrochloride
CID 120704873

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of N-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-(1,3-thiazol-2-yl)acetamide (CID 70698682) is N-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for N-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for N-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-(1,3-thiazol-2-yl)acetamide is CN(C(=O)Cc1nccs1)c1nc2c(s1)CCCC2.
What is the InChIKey of N-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-(1,3-thiazol-2-yl)acetamide?
The InChIKey is YICOJYUDCAIOFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3OS2/c1-16(12(17)8-11-14-6-7-18-11)13-15-9-4-2-3-5-10(9)19-13/h6-7H,2-5,8H2,1H3.
What are the key properties of N-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-(1,3-thiazol-2-yl)acetamide?
N-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-(1,3-thiazol-2-yl)acetamide has a molecular weight of 293.42 g/mol, XLogP of 2.68, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 70698682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).