3-phenylsulfanyl-N-(3,5,6-trimethyl-1,3-benzothiazol-2-ylidene)propanamide

C19H20N2OS2 — CID 41047842

IUPAC3-phenylsulfanyl-N-(3,5,6-trimethyl-1,3-benzothiazol-2-ylidene)propanamide
SMILESCc1cc2s/c(=N\C(=O)CCSc3ccccc3)n(C)c2cc1C
InChIInChI=1S/C19H20N2OS2/c1-13-11-16-17(12-14(13)2)24-19(21(16)3)20-18(22)9-10-23-15-7-5-4-6-8-15/h4-8,11-12H,9-10H2,1-3H3/b20-19-
InChIKeyDZKUQMHAJJQKTI-VXPUYCOJSA-N
MW356.52 g/mol
LogP4.47
Rot. Bonds4

About 3-phenylsulfanyl-N-(3,5,6-trimethyl-1,3-benzothiazol-2-ylidene)propanamide

3-phenylsulfanyl-N-(3,5,6-trimethyl-1,3-benzothiazol-2-ylidene)propanamide (PubChem CID 41047842) has the molecular formula C19H20N2OS2 and a molecular weight of 356.52 g/mol. Its IUPAC name is 3-phenylsulfanyl-N-(3,5,6-trimethyl-1,3-benzothiazol-2-ylidene)propanamide.

Molecular Properties

Compound Name3-phenylsulfanyl-N-(3,5,6-trimethyl-1,3-benzothiazol-2-ylidene)propanamide
PubChem CID41047842
Molecular FormulaC19H20N2OS2
Molecular Weight356.52 g/mol
Exact Mass356.10
IUPAC Name3-phenylsulfanyl-N-(3,5,6-trimethyl-1,3-benzothiazol-2-ylidene)propanamide
SMILESCc1cc2s/c(=N\C(=O)CCSc3ccccc3)n(C)c2cc1C
InChIInChI=1S/C19H20N2OS2/c1-13-11-16-17(12-14(13)2)24-19(21(16)3)20-18(22)9-10-23-15-7-5-4-6-8-15/h4-8,11-12H,9-10H2,1-3H3/b20-19-
InChIKeyDZKUQMHAJJQKTI-VXPUYCOJSA-N
XLogP4.47
TPSA34.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.52
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,6-dimethyl-1,3-benzothiazol-2-ylidene)-3-(4-methylphenyl)sulfanylpropanamide
CID 40951723
N-(3-methyl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylidene)-4-phenylsulfanylbutanamide
CID 25406154
3-(4-chlorophenyl)sulfanyl-N-[3-(2-methoxyethyl)-5,6-dimethyl-1,3-benzothiazol-2-ylidene]propanamide
CID 41102103
N-(3-methyl-6-nitro-1,3-benzothiazol-2-ylidene)-4-phenylsulfanylbutanamide
CID 25405963
N-(3-methyl-5-nitro-1,3-benzothiazol-2-ylidene)-4-phenylsulfanylbutanamide
CID 16850754
methyl 2-[5,6-dimethyl-2-[3-(4-methylphenyl)sulfanylpropanoylimino]-1,3-benzothiazol-3-yl]acetate
CID 41102436
N-(3-methyl-6-nitro-1,3-benzothiazol-2-ylidene)-3-(4-methylphenyl)sulfanylpropanamide
CID 40694815
2-naphthalen-2-yloxy-N-(3,5,6-trimethyl-1,3-benzothiazol-2-ylidene)acetamide
CID 43980192
3-(4-methoxyphenyl)sulfanyl-N-(3-methyl-6-methylsulfanyl-1,3-benzothiazol-2-ylidene)propanamide
CID 25318213
N-(4-ethoxy-3-methyl-1,3-benzothiazol-2-ylidene)-3-phenylsulfanylpropanamide
CID 3457769
3-phenylsulfanyl-N-(7-propyl-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylidene)propanamide
CID 41135623
N-(5,6-dimethoxy-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-3-phenylsulfanylpropanamide
CID 40694778

Frequently Asked Questions

What is the IUPAC name of 3-phenylsulfanyl-N-(3,5,6-trimethyl-1,3-benzothiazol-2-ylidene)propanamide?
The IUPAC name of 3-phenylsulfanyl-N-(3,5,6-trimethyl-1,3-benzothiazol-2-ylidene)propanamide (CID 41047842) is 3-phenylsulfanyl-N-(3,5,6-trimethyl-1,3-benzothiazol-2-ylidene)propanamide.
What is the SMILES notation for 3-phenylsulfanyl-N-(3,5,6-trimethyl-1,3-benzothiazol-2-ylidene)propanamide?
The canonical SMILES for 3-phenylsulfanyl-N-(3,5,6-trimethyl-1,3-benzothiazol-2-ylidene)propanamide is Cc1cc2s/c(=N\C(=O)CCSc3ccccc3)n(C)c2cc1C.
What is the InChIKey of 3-phenylsulfanyl-N-(3,5,6-trimethyl-1,3-benzothiazol-2-ylidene)propanamide?
The InChIKey is DZKUQMHAJJQKTI-VXPUYCOJSA-N. The full InChI is InChI=1S/C19H20N2OS2/c1-13-11-16-17(12-14(13)2)24-19(21(16)3)20-18(22)9-10-23-15-7-5-4-6-8-15/h4-8,11-12H,9-10H2,1-3H3/b20-19-.
What are the key properties of 3-phenylsulfanyl-N-(3,5,6-trimethyl-1,3-benzothiazol-2-ylidene)propanamide?
3-phenylsulfanyl-N-(3,5,6-trimethyl-1,3-benzothiazol-2-ylidene)propanamide has a molecular weight of 356.52 g/mol, XLogP of 4.47, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenylsulfanyl-N-(3,5,6-trimethyl-1,3-benzothiazol-2-ylidene)propanamide is sourced from PubChem (CID 41047842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).