N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]-2-(1,2,4-triazol-1-yl)acetamide

C16H19ClN6OS — CID 43962561

IUPACN-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]-2-(1,2,4-triazol-1-yl)acetamide
SMILESCc1c(Cl)ccc2sc(N(CCN(C)C)C(=O)Cn3cncn3)nc12
InChIInChI=1S/C16H19ClN6OS/c1-11-12(17)4-5-13-15(11)20-16(25-13)23(7-6-21(2)3)14(24)8-22-10-18-9-19-22/h4-5,9-10H,6-8H2,1-3H3
InChIKeyFGDZLNXERCZXNO-UHFFFAOYSA-N
MW378.89 g/mol
LogP2.44
Rot. Bonds6

About N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]-2-(1,2,4-triazol-1-yl)acetamide

N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]-2-(1,2,4-triazol-1-yl)acetamide (PubChem CID 43962561) has the molecular formula C16H19ClN6OS and a molecular weight of 378.89 g/mol. Its IUPAC name is N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]-2-(1,2,4-triazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]-2-(1,2,4-triazol-1-yl)acetamide
PubChem CID43962561
Molecular FormulaC16H19ClN6OS
Molecular Weight378.89 g/mol
Exact Mass378.10
IUPAC NameN-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]-2-(1,2,4-triazol-1-yl)acetamide
SMILESCc1c(Cl)ccc2sc(N(CCN(C)C)C(=O)Cn3cncn3)nc12
InChIInChI=1S/C16H19ClN6OS/c1-11-12(17)4-5-13-15(11)20-16(25-13)23(7-6-21(2)3)14(24)8-22-10-18-9-19-22/h4-5,9-10H,6-8H2,1-3H3
InChIKeyFGDZLNXERCZXNO-UHFFFAOYSA-N
XLogP2.44
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.89
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-2-(3,5-dimethylpyrazol-1-yl)acetamide
CID 43965287
N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]-2-(4-methylphenoxy)acetamide
CID 43961488
N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)sulfanylacetamide
CID 41320432
N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-3-(4-chlorophenyl)sulfanyl-N-[2-(dimethylamino)ethyl]propanamide
CID 41026611
N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]-4-methylsulfanylbenzamide
CID 7580403
N-(6-bromo-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-2-(1,2,4-triazol-1-yl)acetamide
CID 43965021
N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]-2-(3-methylphenoxy)acetamide
CID 43961454
N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-(4-chlorophenyl)sulfanyl-N-[3-(dimethylamino)propyl]acetamide;hydrochloride
CID 44931836
N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]-2,5-dimethylfuran-3-carboxamide
CID 43962544
N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-2-thiophen-2-ylacetamide
CID 41341372
N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-[2-(diethylamino)ethyl]-2-[methyl(methylsulfonyl)amino]acetamide
CID 43962582
N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-3-(4-chlorophenyl)sulfanyl-N-[3-(dimethylamino)propyl]propanamide
CID 43965365

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]-2-(1,2,4-triazol-1-yl)acetamide?
The IUPAC name of N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]-2-(1,2,4-triazol-1-yl)acetamide (CID 43962561) is N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]-2-(1,2,4-triazol-1-yl)acetamide.
What is the SMILES notation for N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]-2-(1,2,4-triazol-1-yl)acetamide?
The canonical SMILES for N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]-2-(1,2,4-triazol-1-yl)acetamide is Cc1c(Cl)ccc2sc(N(CCN(C)C)C(=O)Cn3cncn3)nc12.
What is the InChIKey of N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]-2-(1,2,4-triazol-1-yl)acetamide?
The InChIKey is FGDZLNXERCZXNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN6OS/c1-11-12(17)4-5-13-15(11)20-16(25-13)23(7-6-21(2)3)14(24)8-22-10-18-9-19-22/h4-5,9-10H,6-8H2,1-3H3.
What are the key properties of N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]-2-(1,2,4-triazol-1-yl)acetamide?
N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]-2-(1,2,4-triazol-1-yl)acetamide has a molecular weight of 378.89 g/mol, XLogP of 2.44, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]-2-(1,2,4-triazol-1-yl)acetamide is sourced from PubChem (CID 43962561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).