2-[2-[(3-ethyl-1,3-benzothiazol-2-ylidene)amino]-2-oxoethyl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide

C16H16N4O2S3 — CID 3239639

IUPAC2-[2-[(3-ethyl-1,3-benzothiazol-2-ylidene)amino]-2-oxoethyl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide
SMILESCCn1/c(=N/C(=O)CSCC(=O)Nc2nccs2)sc2ccccc21
InChIInChI=1S/C16H16N4O2S3/c1-2-20-11-5-3-4-6-12(11)25-16(20)19-14(22)10-23-9-13(21)18-15-17-7-8-24-15/h3-8H,2,9-10H2,1H3,(H,17,18,21)/b19-16-
InChIKeyJPDMUHBVMTVDPV-MNDPQUGUSA-N
MW392.53 g/mol
LogP2.98
Rot. Bonds6

About 2-[2-[(3-ethyl-1,3-benzothiazol-2-ylidene)amino]-2-oxoethyl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide

2-[2-[(3-ethyl-1,3-benzothiazol-2-ylidene)amino]-2-oxoethyl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 3239639) has the molecular formula C16H16N4O2S3 and a molecular weight of 392.53 g/mol. Its IUPAC name is 2-[2-[(3-ethyl-1,3-benzothiazol-2-ylidene)amino]-2-oxoethyl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[2-[(3-ethyl-1,3-benzothiazol-2-ylidene)amino]-2-oxoethyl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide
PubChem CID3239639
Molecular FormulaC16H16N4O2S3
Molecular Weight392.53 g/mol
Exact Mass392.04
IUPAC Name2-[2-[(3-ethyl-1,3-benzothiazol-2-ylidene)amino]-2-oxoethyl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide
SMILESCCn1/c(=N/C(=O)CSCC(=O)Nc2nccs2)sc2ccccc21
InChIInChI=1S/C16H16N4O2S3/c1-2-20-11-5-3-4-6-12(11)25-16(20)19-14(22)10-23-9-13(21)18-15-17-7-8-24-15/h3-8H,2,9-10H2,1H3,(H,17,18,21)/b19-16-
InChIKeyJPDMUHBVMTVDPV-MNDPQUGUSA-N
XLogP2.98
TPSA76.35 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.53
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3-ethyl-1,3-benzothiazol-2-ylidene)amino]-2-oxoethyl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[2-[(3-ethyl-1,3-benzothiazol-2-ylidene)amino]-2-oxoethyl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide (CID 3239639) is 2-[2-[(3-ethyl-1,3-benzothiazol-2-ylidene)amino]-2-oxoethyl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[2-[(3-ethyl-1,3-benzothiazol-2-ylidene)amino]-2-oxoethyl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[2-[(3-ethyl-1,3-benzothiazol-2-ylidene)amino]-2-oxoethyl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide is CCn1/c(=N/C(=O)CSCC(=O)Nc2nccs2)sc2ccccc21.
What is the InChIKey of 2-[2-[(3-ethyl-1,3-benzothiazol-2-ylidene)amino]-2-oxoethyl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is JPDMUHBVMTVDPV-MNDPQUGUSA-N. The full InChI is InChI=1S/C16H16N4O2S3/c1-2-20-11-5-3-4-6-12(11)25-16(20)19-14(22)10-23-9-13(21)18-15-17-7-8-24-15/h3-8H,2,9-10H2,1H3,(H,17,18,21)/b19-16-.
What are the key properties of 2-[2-[(3-ethyl-1,3-benzothiazol-2-ylidene)amino]-2-oxoethyl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide?
2-[2-[(3-ethyl-1,3-benzothiazol-2-ylidene)amino]-2-oxoethyl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 392.53 g/mol, XLogP of 2.98, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3-ethyl-1,3-benzothiazol-2-ylidene)amino]-2-oxoethyl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 3239639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).