1,3-benzothiazol-2-ylmethyl-methyl-[2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]azanium

C14H19N4O2S+ — CID 8803818

IUPAC1,3-benzothiazol-2-ylmethyl-methyl-[2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]azanium
SMILESCNC(=O)CNC(=O)C[NH+](C)Cc1nc2ccccc2s1
InChIInChI=1S/C14H18N4O2S/c1-15-12(19)7-16-13(20)8-18(2)9-14-17-10-5-3-4-6-11(10)21-14/h3-6H,7-9H2,1-2H3,(H,15,19)(H,16,20)/p+1
InChIKeyQSNIZBRVUPOGHR-UHFFFAOYSA-O
MW307.40 g/mol
LogP-0.83
Rot. Bonds6

About 1,3-benzothiazol-2-ylmethyl-methyl-[2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]azanium

1,3-benzothiazol-2-ylmethyl-methyl-[2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]azanium (PubChem CID 8803818) has the molecular formula C14H19N4O2S+ and a molecular weight of 307.40 g/mol. Its IUPAC name is 1,3-benzothiazol-2-ylmethyl-methyl-[2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]azanium.

Molecular Properties

Compound Name1,3-benzothiazol-2-ylmethyl-methyl-[2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]azanium
PubChem CID8803818
Molecular FormulaC14H19N4O2S+
Molecular Weight307.40 g/mol
Exact Mass307.12
IUPAC Name1,3-benzothiazol-2-ylmethyl-methyl-[2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]azanium
SMILESCNC(=O)CNC(=O)C[NH+](C)Cc1nc2ccccc2s1
InChIInChI=1S/C14H18N4O2S/c1-15-12(19)7-16-13(20)8-18(2)9-14-17-10-5-3-4-6-11(10)21-14/h3-6H,7-9H2,1-2H3,(H,15,19)(H,16,20)/p+1
InChIKeyQSNIZBRVUPOGHR-UHFFFAOYSA-O
XLogP-0.83
TPSA75.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 5-0.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 8801831
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1,3-benzothiazol-2-ylmethyl-methyl-[2-(2-methylanilino)-2-oxoethyl]azanium
CID 8801475
1,3-benzothiazol-2-ylmethyl-methyl-[2-(4-methylanilino)-2-oxoethyl]azanium
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CID 8801901
1,3-benzothiazol-2-ylmethyl-[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]-methylazanium
CID 8801665
1,3-benzothiazol-2-ylmethyl-[2-(2-bromoanilino)-2-oxoethyl]-methylazanium
CID 9252699
1,3-benzothiazol-2-ylmethyl-[2-[2-(2-methoxyphenoxy)ethylamino]-2-oxoethyl]-methylazanium
CID 8803605
1,3-benzothiazol-2-ylmethyl-[2-(3,4-dimethylanilino)-2-oxoethyl]-methylazanium
CID 8801551
1,3-benzothiazol-2-ylmethyl-methyl-[2-oxo-2-(2-propan-2-ylanilino)ethyl]azanium
CID 8801735
1,3-benzothiazol-2-ylmethyl-[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl]-methylazanium
CID 8802865
1,3-benzothiazol-2-ylmethyl-[2-(2,5-difluoroanilino)-2-oxoethyl]-methylazanium
CID 8802166

Frequently Asked Questions

What is the IUPAC name of 1,3-benzothiazol-2-ylmethyl-methyl-[2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]azanium?
The IUPAC name of 1,3-benzothiazol-2-ylmethyl-methyl-[2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]azanium (CID 8803818) is 1,3-benzothiazol-2-ylmethyl-methyl-[2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]azanium.
What is the SMILES notation for 1,3-benzothiazol-2-ylmethyl-methyl-[2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]azanium?
The canonical SMILES for 1,3-benzothiazol-2-ylmethyl-methyl-[2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]azanium is CNC(=O)CNC(=O)C[NH+](C)Cc1nc2ccccc2s1.
What is the InChIKey of 1,3-benzothiazol-2-ylmethyl-methyl-[2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]azanium?
The InChIKey is QSNIZBRVUPOGHR-UHFFFAOYSA-O. The full InChI is InChI=1S/C14H18N4O2S/c1-15-12(19)7-16-13(20)8-18(2)9-14-17-10-5-3-4-6-11(10)21-14/h3-6H,7-9H2,1-2H3,(H,15,19)(H,16,20)/p+1.
What are the key properties of 1,3-benzothiazol-2-ylmethyl-methyl-[2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]azanium?
1,3-benzothiazol-2-ylmethyl-methyl-[2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]azanium has a molecular weight of 307.40 g/mol, XLogP of -0.83, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-benzothiazol-2-ylmethyl-methyl-[2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]azanium is sourced from PubChem (CID 8803818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).