4-(5-chloro-1-benzofuran-2-yl)-N-prop-2-enyl-1,3-thiazol-2-amine bromide

C14H11BrClN2OS- — CID 45108453

IUPAC4-(5-chloro-1-benzofuran-2-yl)-N-prop-2-enyl-1,3-thiazol-2-amine bromide
SMILESC=CCNc1nc(-c2cc3cc(Cl)ccc3o2)cs1.[Br-]
InChIInChI=1S/C14H11ClN2OS.BrH/c1-2-5-16-14-17-11(8-19-14)13-7-9-6-10(15)3-4-12(9)18-13;/h2-4,6-8H,1,5H2,(H,16,17);1H/p-1
InChIKeyADWOYDQHWJPLKL-UHFFFAOYSA-M
MW370.68 g/mol
LogP1.81
Rot. Bonds4

About 4-(5-chloro-1-benzofuran-2-yl)-N-prop-2-enyl-1,3-thiazol-2-amine bromide

4-(5-chloro-1-benzofuran-2-yl)-N-prop-2-enyl-1,3-thiazol-2-amine bromide (PubChem CID 45108453) has the molecular formula C14H11BrClN2OS- and a molecular weight of 370.68 g/mol. Its IUPAC name is 4-(5-chloro-1-benzofuran-2-yl)-N-prop-2-enyl-1,3-thiazol-2-amine bromide.

Molecular Properties

Compound Name4-(5-chloro-1-benzofuran-2-yl)-N-prop-2-enyl-1,3-thiazol-2-amine bromide
PubChem CID45108453
Molecular FormulaC14H11BrClN2OS-
Molecular Weight370.68 g/mol
Exact Mass368.95
IUPAC Name4-(5-chloro-1-benzofuran-2-yl)-N-prop-2-enyl-1,3-thiazol-2-amine bromide
SMILESC=CCNc1nc(-c2cc3cc(Cl)ccc3o2)cs1.[Br-]
InChIInChI=1S/C14H11ClN2OS.BrH/c1-2-5-16-14-17-11(8-19-14)13-7-9-6-10(15)3-4-12(9)18-13;/h2-4,6-8H,1,5H2,(H,16,17);1H/p-1
InChIKeyADWOYDQHWJPLKL-UHFFFAOYSA-M
XLogP1.81
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.68
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(5-chloro-1-benzofuran-2-yl)-1,3-thiazol-2-yl]propanamide
CID 25470108
4-(5-chloro-1-benzofuran-2-yl)-2-(methylsulfonylmethyl)-1,3-thiazole
CID 71930204
2-[(3aR,7aR)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-[4-(5-chloro-1-benzofuran-2-yl)-1,3-thiazol-2-yl]acetamide
CID 51513875
4-(chloromethyl)-N-prop-2-enyl-1,3-thiazol-2-amine
CID 88640379
2-[[5-(5-chloro-1-benzofuran-2-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 126363326
4-(2,4-dimethylphenyl)-N-prop-2-enyl-1,3-thiazol-2-amine
CID 2059129
6-(5-chloro-1-benzofuran-2-yl)-N,2-diethylpyrimidin-4-amine
CID 114734715
4-(5-chloro-1-benzofuran-2-yl)-2-pyrazin-2-yl-1,3-thiazole
CID 47061944
2,5-dichloro-N-[4-(5-methoxy-1-benzofuran-2-yl)-1,3-thiazol-2-yl]benzamide
CID 44916137
2-[[5-(5-chloro-1-benzofuran-2-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 5129090
2-chloro-4-(5-chloro-1-benzofuran-2-yl)-6-methylpyrimidine
CID 114734206
6-(5-chloro-1-benzofuran-2-yl)pyrimidin-4-amine
CID 114734697

Frequently Asked Questions

What is the IUPAC name of 4-(5-chloro-1-benzofuran-2-yl)-N-prop-2-enyl-1,3-thiazol-2-amine bromide?
The IUPAC name of 4-(5-chloro-1-benzofuran-2-yl)-N-prop-2-enyl-1,3-thiazol-2-amine bromide (CID 45108453) is 4-(5-chloro-1-benzofuran-2-yl)-N-prop-2-enyl-1,3-thiazol-2-amine bromide.
What is the SMILES notation for 4-(5-chloro-1-benzofuran-2-yl)-N-prop-2-enyl-1,3-thiazol-2-amine bromide?
The canonical SMILES for 4-(5-chloro-1-benzofuran-2-yl)-N-prop-2-enyl-1,3-thiazol-2-amine bromide is C=CCNc1nc(-c2cc3cc(Cl)ccc3o2)cs1.[Br-].
What is the InChIKey of 4-(5-chloro-1-benzofuran-2-yl)-N-prop-2-enyl-1,3-thiazol-2-amine bromide?
The InChIKey is ADWOYDQHWJPLKL-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H11ClN2OS.BrH/c1-2-5-16-14-17-11(8-19-14)13-7-9-6-10(15)3-4-12(9)18-13;/h2-4,6-8H,1,5H2,(H,16,17);1H/p-1.
What are the key properties of 4-(5-chloro-1-benzofuran-2-yl)-N-prop-2-enyl-1,3-thiazol-2-amine bromide?
4-(5-chloro-1-benzofuran-2-yl)-N-prop-2-enyl-1,3-thiazol-2-amine bromide has a molecular weight of 370.68 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloro-1-benzofuran-2-yl)-N-prop-2-enyl-1,3-thiazol-2-amine bromide is sourced from PubChem (CID 45108453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).