N-(3-methyl-1,3-benzothiazol-2-ylidene)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide

C16H19N3O3S2 — CID 3237163

IUPACN-(3-methyl-1,3-benzothiazol-2-ylidene)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide
SMILESCn1/c(=N/C(=O)CSCC(=O)N2CCOCC2)sc2ccccc21
InChIInChI=1S/C16H19N3O3S2/c1-18-12-4-2-3-5-13(12)24-16(18)17-14(20)10-23-11-15(21)19-6-8-22-9-7-19/h2-5H,6-11H2,1H3/b17-16-
InChIKeyBUXHTSBTUGFKFH-MSUUIHNZSA-N
MW365.48 g/mol
LogP1.26
Rot. Bonds4

About N-(3-methyl-1,3-benzothiazol-2-ylidene)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide

N-(3-methyl-1,3-benzothiazol-2-ylidene)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide (PubChem CID 3237163) has the molecular formula C16H19N3O3S2 and a molecular weight of 365.48 g/mol. Its IUPAC name is N-(3-methyl-1,3-benzothiazol-2-ylidene)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide.

Molecular Properties

Compound NameN-(3-methyl-1,3-benzothiazol-2-ylidene)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide
PubChem CID3237163
Molecular FormulaC16H19N3O3S2
Molecular Weight365.48 g/mol
Exact Mass365.09
IUPAC NameN-(3-methyl-1,3-benzothiazol-2-ylidene)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide
SMILESCn1/c(=N/C(=O)CSCC(=O)N2CCOCC2)sc2ccccc21
InChIInChI=1S/C16H19N3O3S2/c1-18-12-4-2-3-5-13(12)24-16(18)17-14(20)10-23-11-15(21)19-6-8-22-9-7-19/h2-5H,6-11H2,1H3/b17-16-
InChIKeyBUXHTSBTUGFKFH-MSUUIHNZSA-N
XLogP1.26
TPSA63.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-methyl-1,3-benzothiazol-2-ylidene)-2-[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl]sulfanylacetamide
CID 7085315
N-[3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylacetamide
CID 4690203
N-[3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanylacetamide
CID 4164435
methyl 2-[2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetyl]imino-3-prop-2-enyl-1,3-benzothiazole-6-carboxylate
CID 5007826
ethyl 2-[6-methoxy-2-[2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetyl]imino-1,3-benzothiazol-3-yl]acetate
CID 4192311
2-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]sulfanyl-N-[3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]acetamide
CID 4608479
2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-(3-methyl-1,3-benzothiazol-2-ylidene)acetamide
CID 4857459
2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-N-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)acetamide
CID 3620959
N-(3-methyl-1,3-benzothiazol-2-ylidene)-2-naphthalen-2-ylacetamide
CID 16849298
2-(benzenesulfonyl)-N-(3-methyl-1,3-benzothiazol-2-ylidene)acetamide
CID 18573226
N-(3-ethyl-6-fluoro-1,3-benzothiazol-2-ylidene)-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanylacetamide
CID 4161058
N-(3-methyl-1,3-benzothiazol-2-ylidene)-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide
CID 40710316

Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-1,3-benzothiazol-2-ylidene)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide?
The IUPAC name of N-(3-methyl-1,3-benzothiazol-2-ylidene)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide (CID 3237163) is N-(3-methyl-1,3-benzothiazol-2-ylidene)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide.
What is the SMILES notation for N-(3-methyl-1,3-benzothiazol-2-ylidene)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide?
The canonical SMILES for N-(3-methyl-1,3-benzothiazol-2-ylidene)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide is Cn1/c(=N/C(=O)CSCC(=O)N2CCOCC2)sc2ccccc21.
What is the InChIKey of N-(3-methyl-1,3-benzothiazol-2-ylidene)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide?
The InChIKey is BUXHTSBTUGFKFH-MSUUIHNZSA-N. The full InChI is InChI=1S/C16H19N3O3S2/c1-18-12-4-2-3-5-13(12)24-16(18)17-14(20)10-23-11-15(21)19-6-8-22-9-7-19/h2-5H,6-11H2,1H3/b17-16-.
What are the key properties of N-(3-methyl-1,3-benzothiazol-2-ylidene)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide?
N-(3-methyl-1,3-benzothiazol-2-ylidene)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide has a molecular weight of 365.48 g/mol, XLogP of 1.26, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-1,3-benzothiazol-2-ylidene)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide is sourced from PubChem (CID 3237163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).