(E)-4-(1,3-benzothiazol-2-yl)-5-(3,4-dichlorophenyl)pent-4-enoate

C18H12Cl2NO2S- — CID 7873543

IUPAC(E)-4-(1,3-benzothiazol-2-yl)-5-(3,4-dichlorophenyl)pent-4-enoate
SMILESO=C([O-])CC/C(=C\c1ccc(Cl)c(Cl)c1)c1nc2ccccc2s1
InChIInChI=1S/C18H13Cl2NO2S/c19-13-7-5-11(10-14(13)20)9-12(6-8-17(22)23)18-21-15-3-1-2-4-16(15)24-18/h1-5,7,9-10H,6,8H2,(H,22,23)/p-1/b12-9+
InChIKeyNDZISIQKSMGZSK-FMIVXFBMSA-M
MW377.27 g/mol
LogP4.67
Rot. Bonds5

About (E)-4-(1,3-benzothiazol-2-yl)-5-(3,4-dichlorophenyl)pent-4-enoate

(E)-4-(1,3-benzothiazol-2-yl)-5-(3,4-dichlorophenyl)pent-4-enoate (PubChem CID 7873543) has the molecular formula C18H12Cl2NO2S- and a molecular weight of 377.27 g/mol. Its IUPAC name is (E)-4-(1,3-benzothiazol-2-yl)-5-(3,4-dichlorophenyl)pent-4-enoate.

Molecular Properties

Compound Name(E)-4-(1,3-benzothiazol-2-yl)-5-(3,4-dichlorophenyl)pent-4-enoate
PubChem CID7873543
Molecular FormulaC18H12Cl2NO2S-
Molecular Weight377.27 g/mol
Exact Mass376.00
IUPAC Name(E)-4-(1,3-benzothiazol-2-yl)-5-(3,4-dichlorophenyl)pent-4-enoate
SMILESO=C([O-])CC/C(=C\c1ccc(Cl)c(Cl)c1)c1nc2ccccc2s1
InChIInChI=1S/C18H13Cl2NO2S/c19-13-7-5-11(10-14(13)20)9-12(6-8-17(22)23)18-21-15-3-1-2-4-16(15)24-18/h1-5,7,9-10H,6,8H2,(H,22,23)/p-1/b12-9+
InChIKeyNDZISIQKSMGZSK-FMIVXFBMSA-M
XLogP4.67
TPSA53.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.27
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(E)-4-(1,3-benzothiazol-2-yl)-5-naphthalen-2-ylpent-4-enoate
CID 7970844
(E)-4-(1,3-benzothiazol-2-yl)-5-(4-hydroxyphenyl)pent-4-enoate
CID 135750834
(E)-4-(1,3-benzothiazol-2-yl)-5-(2-chlorophenyl)pent-4-enoate
CID 7970798
(E)-4-(1,3-benzothiazol-2-yl)-5-(4-methyl-3-nitrophenyl)pent-4-enoate
CID 7594316
(E)-4-(1,3-benzothiazol-2-yl)-5-[4-(diethylamino)phenyl]pent-4-enoate
CID 7939346
(E)-4-(1,3-benzothiazol-2-yl)-5-(3-ethoxy-4-methoxyphenyl)pent-4-enoate
CID 7991436
(E)-4-(1,3-benzothiazol-2-yl)-5-[4-methoxy-3-(2-methylpropoxy)phenyl]pent-4-enoate
CID 7516007
(E)-3-(1,3-benzothiazol-2-yl)-4-(4-chloro-3-nitrophenyl)but-3-enoic acid
CID 8862754
(E)-4-(1,3-benzothiazol-2-yl)-5-[2-(trifluoromethyl)phenyl]pent-4-enoate
CID 7993376
(E)-4-(1,3-benzothiazol-2-yl)-5-(3,5-dibromo-4-hydroxyphenyl)pent-4-enoic acid
CID 135676403
(Z)-4-(1,3-benzothiazol-2-yl)-5-[3-[(2-chlorobenzoyl)amino]phenyl]pent-4-enoic acid
CID 44601514
3-(1,3-benzothiazol-2-yl)-4-(4-nitrophenyl)but-3-enoate
CID 7062478

Frequently Asked Questions

What is the IUPAC name of (E)-4-(1,3-benzothiazol-2-yl)-5-(3,4-dichlorophenyl)pent-4-enoate?
The IUPAC name of (E)-4-(1,3-benzothiazol-2-yl)-5-(3,4-dichlorophenyl)pent-4-enoate (CID 7873543) is (E)-4-(1,3-benzothiazol-2-yl)-5-(3,4-dichlorophenyl)pent-4-enoate.
What is the SMILES notation for (E)-4-(1,3-benzothiazol-2-yl)-5-(3,4-dichlorophenyl)pent-4-enoate?
The canonical SMILES for (E)-4-(1,3-benzothiazol-2-yl)-5-(3,4-dichlorophenyl)pent-4-enoate is O=C([O-])CC/C(=C\c1ccc(Cl)c(Cl)c1)c1nc2ccccc2s1.
What is the InChIKey of (E)-4-(1,3-benzothiazol-2-yl)-5-(3,4-dichlorophenyl)pent-4-enoate?
The InChIKey is NDZISIQKSMGZSK-FMIVXFBMSA-M. The full InChI is InChI=1S/C18H13Cl2NO2S/c19-13-7-5-11(10-14(13)20)9-12(6-8-17(22)23)18-21-15-3-1-2-4-16(15)24-18/h1-5,7,9-10H,6,8H2,(H,22,23)/p-1/b12-9+.
What are the key properties of (E)-4-(1,3-benzothiazol-2-yl)-5-(3,4-dichlorophenyl)pent-4-enoate?
(E)-4-(1,3-benzothiazol-2-yl)-5-(3,4-dichlorophenyl)pent-4-enoate has a molecular weight of 377.27 g/mol, XLogP of 4.67, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-(1,3-benzothiazol-2-yl)-5-(3,4-dichlorophenyl)pent-4-enoate is sourced from PubChem (CID 7873543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).