(E)-N-[4-(5-bromothiophen-2-yl)-1,3-thiazol-2-yl]-3-thiophen-2-ylprop-2-enamide

C14H9BrN2OS3 — CID 6108158

IUPAC(E)-N-[4-(5-bromothiophen-2-yl)-1,3-thiazol-2-yl]-3-thiophen-2-ylprop-2-enamide
SMILESO=C(/C=C/c1cccs1)Nc1nc(-c2ccc(Br)s2)cs1
InChIInChI=1S/C14H9BrN2OS3/c15-12-5-4-11(21-12)10-8-20-14(16-10)17-13(18)6-3-9-2-1-7-19-9/h1-8H,(H,16,17,18)/b6-3+
InChIKeyZCTRBPIRWMFUOY-ZZXKWVIFSA-N
MW397.34 g/mol
LogP5.35
Rot. Bonds4

About (E)-N-[4-(5-bromothiophen-2-yl)-1,3-thiazol-2-yl]-3-thiophen-2-ylprop-2-enamide

(E)-N-[4-(5-bromothiophen-2-yl)-1,3-thiazol-2-yl]-3-thiophen-2-ylprop-2-enamide (PubChem CID 6108158) has the molecular formula C14H9BrN2OS3 and a molecular weight of 397.34 g/mol. Its IUPAC name is (E)-N-[4-(5-bromothiophen-2-yl)-1,3-thiazol-2-yl]-3-thiophen-2-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[4-(5-bromothiophen-2-yl)-1,3-thiazol-2-yl]-3-thiophen-2-ylprop-2-enamide
PubChem CID6108158
Molecular FormulaC14H9BrN2OS3
Molecular Weight397.34 g/mol
Exact Mass395.91
IUPAC Name(E)-N-[4-(5-bromothiophen-2-yl)-1,3-thiazol-2-yl]-3-thiophen-2-ylprop-2-enamide
SMILESO=C(/C=C/c1cccs1)Nc1nc(-c2ccc(Br)s2)cs1
InChIInChI=1S/C14H9BrN2OS3/c15-12-5-4-11(21-12)10-8-20-14(16-10)17-13(18)6-3-9-2-1-7-19-9/h1-8H,(H,16,17,18)/b6-3+
InChIKeyZCTRBPIRWMFUOY-ZZXKWVIFSA-N
XLogP5.35
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.34
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-3-thiophen-2-ylprop-2-enamide
CID 1012057
N-[4-(4-phenoxyphenyl)-1,3-thiazol-2-yl]-3-thiophen-2-ylprop-2-enamide
CID 4286207
(E)-N-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]-3-thiophen-2-ylprop-2-enamide
CID 6173167
3-(2,6-dichlorophenyl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)prop-2-enamide
CID 3453085
(E)-3-(4-aminophenyl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)prop-2-enamide
CID 84560255
(E)-N-(4,5-dichloro-1,3-benzothiazol-2-yl)-3-thiophen-2-ylprop-2-enamide
CID 6025860
N-benzo[g][1,3]benzothiazol-2-yl-3-thiophen-2-ylprop-2-enamide
CID 5169785
(E)-N-(4-chloro-1,3-benzothiazol-2-yl)-3-thiophen-2-ylprop-2-enamide
CID 17374448
3-thiophen-2-yl-N-[4-thiophen-2-yl-5-(2,2,2-trifluoroacetyl)-1,3-thiazol-2-yl]prop-2-enamide
CID 71962953
N-[4-(5-bromothiophen-2-yl)-1,3-thiazol-2-yl]-2-thiophen-2-ylquinoline-4-carboxamide
CID 71592345
(E)-N-[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]-3-thiophen-2-ylprop-2-enamide
CID 9245960
(E)-3-(5-bromothiophen-2-yl)-N-(2-thiophen-2-ylphenyl)prop-2-enamide
CID 24568053

Frequently Asked Questions

What is the IUPAC name of (E)-N-[4-(5-bromothiophen-2-yl)-1,3-thiazol-2-yl]-3-thiophen-2-ylprop-2-enamide?
The IUPAC name of (E)-N-[4-(5-bromothiophen-2-yl)-1,3-thiazol-2-yl]-3-thiophen-2-ylprop-2-enamide (CID 6108158) is (E)-N-[4-(5-bromothiophen-2-yl)-1,3-thiazol-2-yl]-3-thiophen-2-ylprop-2-enamide.
What is the SMILES notation for (E)-N-[4-(5-bromothiophen-2-yl)-1,3-thiazol-2-yl]-3-thiophen-2-ylprop-2-enamide?
The canonical SMILES for (E)-N-[4-(5-bromothiophen-2-yl)-1,3-thiazol-2-yl]-3-thiophen-2-ylprop-2-enamide is O=C(/C=C/c1cccs1)Nc1nc(-c2ccc(Br)s2)cs1.
What is the InChIKey of (E)-N-[4-(5-bromothiophen-2-yl)-1,3-thiazol-2-yl]-3-thiophen-2-ylprop-2-enamide?
The InChIKey is ZCTRBPIRWMFUOY-ZZXKWVIFSA-N. The full InChI is InChI=1S/C14H9BrN2OS3/c15-12-5-4-11(21-12)10-8-20-14(16-10)17-13(18)6-3-9-2-1-7-19-9/h1-8H,(H,16,17,18)/b6-3+.
What are the key properties of (E)-N-[4-(5-bromothiophen-2-yl)-1,3-thiazol-2-yl]-3-thiophen-2-ylprop-2-enamide?
(E)-N-[4-(5-bromothiophen-2-yl)-1,3-thiazol-2-yl]-3-thiophen-2-ylprop-2-enamide has a molecular weight of 397.34 g/mol, XLogP of 5.35, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[4-(5-bromothiophen-2-yl)-1,3-thiazol-2-yl]-3-thiophen-2-ylprop-2-enamide is sourced from PubChem (CID 6108158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).