N-(6-chloro-3-ethyl-1,3-benzothiazol-2-ylidene)propanamide

C12H13ClN2OS — CID 2104717

IUPACN-(6-chloro-3-ethyl-1,3-benzothiazol-2-ylidene)propanamide
SMILESCCC(=O)/N=c1\sc2cc(Cl)ccc2n1CC
InChIInChI=1S/C12H13ClN2OS/c1-3-11(16)14-12-15(4-2)9-6-5-8(13)7-10(9)17-12/h5-7H,3-4H2,1-2H3/b14-12-
InChIKeyKNQUILANLSDCFN-OWBHPGMISA-N
MW268.77 g/mol
LogP3.21
Rot. Bonds2

About N-(6-chloro-3-ethyl-1,3-benzothiazol-2-ylidene)propanamide

N-(6-chloro-3-ethyl-1,3-benzothiazol-2-ylidene)propanamide (PubChem CID 2104717) has the molecular formula C12H13ClN2OS and a molecular weight of 268.77 g/mol. Its IUPAC name is N-(6-chloro-3-ethyl-1,3-benzothiazol-2-ylidene)propanamide.

Molecular Properties

Compound NameN-(6-chloro-3-ethyl-1,3-benzothiazol-2-ylidene)propanamide
PubChem CID2104717
Molecular FormulaC12H13ClN2OS
Molecular Weight268.77 g/mol
Exact Mass268.04
IUPAC NameN-(6-chloro-3-ethyl-1,3-benzothiazol-2-ylidene)propanamide
SMILESCCC(=O)/N=c1\sc2cc(Cl)ccc2n1CC
InChIInChI=1S/C12H13ClN2OS/c1-3-11(16)14-12-15(4-2)9-6-5-8(13)7-10(9)17-12/h5-7H,3-4H2,1-2H3/b14-12-
InChIKeyKNQUILANLSDCFN-OWBHPGMISA-N
XLogP3.21
TPSA34.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.77
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-(3-methyl-1,3-benzothiazol-2-ylidene)acetamide
CID 3685735
N-(3-methyl-1,3-benzothiazol-2-ylidene)acetamide
CID 656374
8-Chloro-2-(4-methylpiperazin-1-yl)-4-oxopyrimido[2,1-b][1,3]benzothiazole-3-carboxamide
CID 71577086
8-Chloro-2-(4-ethylpiperazin-1-yl)-4-oxopyrimido[2,1-b][1,3]benzothiazole-3-carboxamide
CID 71577087
8-Chloro-2-[2-(dimethylamino)ethylamino]-4-oxopyrimido[2,1-b][1,3]benzothiazole-3-carboxamide
CID 71577158
8-Chloro-4-oxo-2-pyrrolidin-1-ylpyrimido[2,1-b][1,3]benzothiazole-3-carboxamide
CID 76312802
8-Chloro-4-oxo-2-piperidin-1-ylpyrimido[2,1-b][1,3]benzothiazole-3-carboxamide
CID 76316322
(Z)-S-(2-((3-ethylbenzo[d]thiazol-2(3H)-ylidene)amino)-2-oxoethyl) ethanethioate
CID 3237316
2-Chloro-6,7-dihydro-5h-10-thia-4b,9-diaza-benzo[a]azulen-8-one
CID 56840242
4,5-dihydro-3H-[1,3]diazepino[2,1-b][1,3]benzothiazol-2-one
CID 56931185
6-Chloro-3-ethylbenzo[d]thiazol-2(3H)-one
CID 268116
2-(Diethylamino)-N-(3-methyl-2-benzothiazolinylidene)acetamide hydrochloride
CID 3053684

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-3-ethyl-1,3-benzothiazol-2-ylidene)propanamide?
The IUPAC name of N-(6-chloro-3-ethyl-1,3-benzothiazol-2-ylidene)propanamide (CID 2104717) is N-(6-chloro-3-ethyl-1,3-benzothiazol-2-ylidene)propanamide.
What is the SMILES notation for N-(6-chloro-3-ethyl-1,3-benzothiazol-2-ylidene)propanamide?
The canonical SMILES for N-(6-chloro-3-ethyl-1,3-benzothiazol-2-ylidene)propanamide is CCC(=O)/N=c1\sc2cc(Cl)ccc2n1CC.
What is the InChIKey of N-(6-chloro-3-ethyl-1,3-benzothiazol-2-ylidene)propanamide?
The InChIKey is KNQUILANLSDCFN-OWBHPGMISA-N. The full InChI is InChI=1S/C12H13ClN2OS/c1-3-11(16)14-12-15(4-2)9-6-5-8(13)7-10(9)17-12/h5-7H,3-4H2,1-2H3/b14-12-.
What are the key properties of N-(6-chloro-3-ethyl-1,3-benzothiazol-2-ylidene)propanamide?
N-(6-chloro-3-ethyl-1,3-benzothiazol-2-ylidene)propanamide has a molecular weight of 268.77 g/mol, XLogP of 3.21, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-3-ethyl-1,3-benzothiazol-2-ylidene)propanamide is sourced from PubChem (CID 2104717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).