(NZ)-N-(3-ethyl-6-propan-2-yl-1,3-benzothiazol-2-ylidene)thiophene-2-sulfonamide

C16H18N2O2S3 — CID 16938161

IUPAC(NZ)-N-(3-ethyl-6-propan-2-yl-1,3-benzothiazol-2-ylidene)thiophene-2-sulfonamide
SMILESCCn1/c(=N/S(=O)(=O)c2cccs2)sc2cc(C(C)C)ccc21
InChIInChI=1S/C16H18N2O2S3/c1-4-18-13-8-7-12(11(2)3)10-14(13)22-16(18)17-23(19,20)15-6-5-9-21-15/h5-11H,4H2,1-3H3/b17-16-
InChIKeyCRTDNPBCHNMGHW-MSUUIHNZSA-N
MW366.53 g/mol
LogP4.20
Rot. Bonds4

About (NZ)-N-(3-ethyl-6-propan-2-yl-1,3-benzothiazol-2-ylidene)thiophene-2-sulfonamide

(NZ)-N-(3-ethyl-6-propan-2-yl-1,3-benzothiazol-2-ylidene)thiophene-2-sulfonamide (PubChem CID 16938161) has the molecular formula C16H18N2O2S3 and a molecular weight of 366.53 g/mol. Its IUPAC name is (NZ)-N-(3-ethyl-6-propan-2-yl-1,3-benzothiazol-2-ylidene)thiophene-2-sulfonamide.

Molecular Properties

Compound Name(NZ)-N-(3-ethyl-6-propan-2-yl-1,3-benzothiazol-2-ylidene)thiophene-2-sulfonamide
PubChem CID16938161
Molecular FormulaC16H18N2O2S3
Molecular Weight366.53 g/mol
Exact Mass366.05
IUPAC Name(NZ)-N-(3-ethyl-6-propan-2-yl-1,3-benzothiazol-2-ylidene)thiophene-2-sulfonamide
SMILESCCn1/c(=N/S(=O)(=O)c2cccs2)sc2cc(C(C)C)ccc21
InChIInChI=1S/C16H18N2O2S3/c1-4-18-13-8-7-12(11(2)3)10-14(13)22-16(18)17-23(19,20)15-6-5-9-21-15/h5-11H,4H2,1-3H3/b17-16-
InChIKeyCRTDNPBCHNMGHW-MSUUIHNZSA-N
XLogP4.20
TPSA51.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.53
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-ethyl-6-fluoro-1,3-benzothiazol-2-ylidene)thiophene-2-sulfonamide
CID 40892331
N-(7-ethyl-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylidene)thiophene-2-sulfonamide
CID 40892454
(NZ)-N-(6-ethyl-3-methyl-1,3-benzothiazol-2-ylidene)thiophene-2-sulfonamide
CID 16938162
N-(6-methylsulfonyl-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)thiophene-2-sulfonamide
CID 40892434
N-(6-chloro-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)thiophene-2-sulfonamide
CID 40892427
N-(3,5,6-trimethyl-1,3-benzothiazol-2-ylidene)thiophene-2-sulfonamide
CID 40892491
methyl 2-(6-bromo-2-thiophen-2-ylsulfonylimino-1,3-benzothiazol-3-yl)acetate
CID 40892400
methyl 2-[(2Z)-6-bromo-2-thiophen-2-ylsulfonylimino-1,3-benzothiazol-3-yl]acetate
CID 16938099
ethyl 2-(6-methoxy-2-thiophen-2-ylsulfonylimino-1,3-benzothiazol-3-yl)acetate
CID 40892418
(NZ)-N-(4-ethoxy-3-ethyl-1,3-benzothiazol-2-ylidene)thiophene-2-sulfonamide
CID 16938019
ethyl 2-(6-sulfamoyl-2-thiophen-2-ylsulfonylimino-1,3-benzothiazol-3-yl)acetate
CID 40892417
ethyl (2Z)-3-(2-methoxyethyl)-2-thiophen-2-ylsulfonylimino-1,3-benzothiazole-6-carboxylate
CID 16938065

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-(3-ethyl-6-propan-2-yl-1,3-benzothiazol-2-ylidene)thiophene-2-sulfonamide?
The IUPAC name of (NZ)-N-(3-ethyl-6-propan-2-yl-1,3-benzothiazol-2-ylidene)thiophene-2-sulfonamide (CID 16938161) is (NZ)-N-(3-ethyl-6-propan-2-yl-1,3-benzothiazol-2-ylidene)thiophene-2-sulfonamide.
What is the SMILES notation for (NZ)-N-(3-ethyl-6-propan-2-yl-1,3-benzothiazol-2-ylidene)thiophene-2-sulfonamide?
The canonical SMILES for (NZ)-N-(3-ethyl-6-propan-2-yl-1,3-benzothiazol-2-ylidene)thiophene-2-sulfonamide is CCn1/c(=N/S(=O)(=O)c2cccs2)sc2cc(C(C)C)ccc21.
What is the InChIKey of (NZ)-N-(3-ethyl-6-propan-2-yl-1,3-benzothiazol-2-ylidene)thiophene-2-sulfonamide?
The InChIKey is CRTDNPBCHNMGHW-MSUUIHNZSA-N. The full InChI is InChI=1S/C16H18N2O2S3/c1-4-18-13-8-7-12(11(2)3)10-14(13)22-16(18)17-23(19,20)15-6-5-9-21-15/h5-11H,4H2,1-3H3/b17-16-.
What are the key properties of (NZ)-N-(3-ethyl-6-propan-2-yl-1,3-benzothiazol-2-ylidene)thiophene-2-sulfonamide?
(NZ)-N-(3-ethyl-6-propan-2-yl-1,3-benzothiazol-2-ylidene)thiophene-2-sulfonamide has a molecular weight of 366.53 g/mol, XLogP of 4.20, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-(3-ethyl-6-propan-2-yl-1,3-benzothiazol-2-ylidene)thiophene-2-sulfonamide is sourced from PubChem (CID 16938161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).